ethane;(3Z)-2-imino-3-(2-methoxyphenyl)-3-(methylhydrazinylidene)-N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]propanamide;N-[(Z)-[2-imino-1-(2-methoxyphenyl)propylidene]amino]methanamine;N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]formamide

C53H78N10O4 — CID 142279769

IUPACethane;(3Z)-2-imino-3-(2-methoxyphenyl)-3-(methylhydrazinylidene)-N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]propanamide;N-[(Z)-[2-imino-1-(2-methoxyphenyl)propylidene]amino]methanamine;N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]formamide
SMILESCC.CC.Cc1cc(C2CCC(CNC=O)CC2)ccn1.[H]/N=C(C(=O)NCC1CCC(c2ccnc(C)c2)CC1)/C(=N\NC)c1ccccc1OC.[H]/N=C(C)/C(=N\NC)c1ccccc1OC
InChIInChI=1S/C24H31N5O2.C14H20N2O.C11H15N3O.2C2H6/c1-16-14-19(12-13-27-16)18-10-8-17(9-11-18)15-28-24(30)22(25)23(29-26-2)20-6-4-5-7-21(20)31-3;1-11-8-14(6-7-16-11)13-4-2-12(3-5-13)9-15-10-17;1-8(12)11(14-13-2)9-6-4-5-7-10(9)15-3;2*1-2/h4-7,12-14,17-18,25-26H,8-11,15H2,1-3H3,(H,28,30);6-8,10,12-13H,2-5,9H2,1H3,(H,15,17);4-7,12-13H,1-3H3;2*1-2H3/b25-22-,29-23-;;12-8+,14-11+;;
InChIKeyKZEQTINELITPNX-KAUOYBENSA-N
MW919.27 g/mol
LogP9.55
Rot. Bonds16

About ethane;(3Z)-2-imino-3-(2-methoxyphenyl)-3-(methylhydrazinylidene)-N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]propanamide;N-[(Z)-[2-imino-1-(2-methoxyphenyl)propylidene]amino]methanamine;N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]formamide

ethane;(3Z)-2-imino-3-(2-methoxyphenyl)-3-(methylhydrazinylidene)-N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]propanamide;N-[(Z)-[2-imino-1-(2-methoxyphenyl)propylidene]amino]methanamine;N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]formamide (PubChem CID 142279769) has the molecular formula C53H78N10O4 and a molecular weight of 919.27 g/mol. Its IUPAC name is ethane;(3Z)-2-imino-3-(2-methoxyphenyl)-3-(methylhydrazinylidene)-N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]propanamide;N-[(Z)-[2-imino-1-(2-methoxyphenyl)propylidene]amino]methanamine;N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]formamide.

Molecular Properties

Compound Nameethane;(3Z)-2-imino-3-(2-methoxyphenyl)-3-(methylhydrazinylidene)-N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]propanamide;N-[(Z)-[2-imino-1-(2-methoxyphenyl)propylidene]amino]methanamine;N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]formamide
PubChem CID142279769
Molecular FormulaC53H78N10O4
Molecular Weight919.27 g/mol
Exact Mass918.62
IUPAC Nameethane;(3Z)-2-imino-3-(2-methoxyphenyl)-3-(methylhydrazinylidene)-N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]propanamide;N-[(Z)-[2-imino-1-(2-methoxyphenyl)propylidene]amino]methanamine;N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]formamide
SMILESCC.CC.Cc1cc(C2CCC(CNC=O)CC2)ccn1.[H]/N=C(C(=O)NCC1CCC(c2ccnc(C)c2)CC1)/C(=N\NC)c1ccccc1OC.[H]/N=C(C)/C(=N\NC)c1ccccc1OC
InChIInChI=1S/C24H31N5O2.C14H20N2O.C11H15N3O.2C2H6/c1-16-14-19(12-13-27-16)18-10-8-17(9-11-18)15-28-24(30)22(25)23(29-26-2)20-6-4-5-7-21(20)31-3;1-11-8-14(6-7-16-11)13-4-2-12(3-5-13)9-15-10-17;1-8(12)11(14-13-2)9-6-4-5-7-10(9)15-3;2*1-2/h4-7,12-14,17-18,25-26H,8-11,15H2,1-3H3,(H,28,30);6-8,10,12-13H,2-5,9H2,1H3,(H,15,17);4-7,12-13H,1-3H3;2*1-2H3/b25-22-,29-23-;;12-8+,14-11+;;
InChIKeyKZEQTINELITPNX-KAUOYBENSA-N
XLogP9.55
TPSA198.92 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms67
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500919.27
LogP ≤ 59.55
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethane;(3Z)-2-imino-3-(2-methoxyphenyl)-3-(methylhydrazinylidene)-N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]propanamide;N-[(Z)-[2-imino-1-(2-methoxyphenyl)propylidene]amino]methanamine;N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]formamide with MolForge

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Related Compounds

(3S,4R)-4-(3-methoxyphenyl)-1-(2-phenylethyl)-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 76317176
2-(3-Methoxyphenyl)-N-[(2-phenylpyridin-3-YL)methyl]acetamide
CID 53148272
2-[[4-(4-Fluoro-2-methoxyphenyl)-2-pyridinyl]methyl]-3-pyridin-4-ylpropanamide
CID 67382775
4-[4-(4-Fluoro-2-methoxyphenyl)-2-pyridinyl]-3-pyridin-3-ylbutanamide
CID 67383002
2-[[4-(4-Fluoro-2-methoxyphenyl)-2-pyridinyl]methyl]-3-pyridin-3-ylpropanamide
CID 67383013
(2R)-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)-N-methylpropanamide
CID 175085852
2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)-N-methylpropanamide
CID 175085854
(2R)-N-(3-fluorophenyl)-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)propanamide
CID 175089261
N-(3-fluorophenyl)-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)propanamide
CID 175089262
(2R)-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)-N-(oxan-4-yl)propanamide
CID 175090934
2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)-N-(oxan-4-yl)propanamide
CID 175090935
(2R)-N-cyclohexyl-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)propanamide
CID 175090966

Frequently Asked Questions

What is the IUPAC name of ethane;(3Z)-2-imino-3-(2-methoxyphenyl)-3-(methylhydrazinylidene)-N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]propanamide;N-[(Z)-[2-imino-1-(2-methoxyphenyl)propylidene]amino]methanamine;N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]formamide?
The IUPAC name of ethane;(3Z)-2-imino-3-(2-methoxyphenyl)-3-(methylhydrazinylidene)-N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]propanamide;N-[(Z)-[2-imino-1-(2-methoxyphenyl)propylidene]amino]methanamine;N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]formamide (CID 142279769) is ethane;(3Z)-2-imino-3-(2-methoxyphenyl)-3-(methylhydrazinylidene)-N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]propanamide;N-[(Z)-[2-imino-1-(2-methoxyphenyl)propylidene]amino]methanamine;N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]formamide.
What is the SMILES notation for ethane;(3Z)-2-imino-3-(2-methoxyphenyl)-3-(methylhydrazinylidene)-N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]propanamide;N-[(Z)-[2-imino-1-(2-methoxyphenyl)propylidene]amino]methanamine;N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]formamide?
The canonical SMILES for ethane;(3Z)-2-imino-3-(2-methoxyphenyl)-3-(methylhydrazinylidene)-N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]propanamide;N-[(Z)-[2-imino-1-(2-methoxyphenyl)propylidene]amino]methanamine;N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]formamide is CC.CC.Cc1cc(C2CCC(CNC=O)CC2)ccn1.[H]/N=C(C(=O)NCC1CCC(c2ccnc(C)c2)CC1)/C(=N\NC)c1ccccc1OC.[H]/N=C(C)/C(=N\NC)c1ccccc1OC.
What is the InChIKey of ethane;(3Z)-2-imino-3-(2-methoxyphenyl)-3-(methylhydrazinylidene)-N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]propanamide;N-[(Z)-[2-imino-1-(2-methoxyphenyl)propylidene]amino]methanamine;N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]formamide?
The InChIKey is KZEQTINELITPNX-KAUOYBENSA-N. The full InChI is InChI=1S/C24H31N5O2.C14H20N2O.C11H15N3O.2C2H6/c1-16-14-19(12-13-27-16)18-10-8-17(9-11-18)15-28-24(30)22(25)23(29-26-2)20-6-4-5-7-21(20)31-3;1-11-8-14(6-7-16-11)13-4-2-12(3-5-13)9-15-10-17;1-8(12)11(14-13-2)9-6-4-5-7-10(9)15-3;2*1-2/h4-7,12-14,17-18,25-26H,8-11,15H2,1-3H3,(H,28,30);6-8,10,12-13H,2-5,9H2,1H3,(H,15,17);4-7,12-13H,1-3H3;2*1-2H3/b25-22-,29-23-;;12-8+,14-11+;;.
What are the key properties of ethane;(3Z)-2-imino-3-(2-methoxyphenyl)-3-(methylhydrazinylidene)-N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]propanamide;N-[(Z)-[2-imino-1-(2-methoxyphenyl)propylidene]amino]methanamine;N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]formamide?
ethane;(3Z)-2-imino-3-(2-methoxyphenyl)-3-(methylhydrazinylidene)-N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]propanamide;N-[(Z)-[2-imino-1-(2-methoxyphenyl)propylidene]amino]methanamine;N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]formamide has a molecular weight of 919.27 g/mol, XLogP of 9.55, 16 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z)-2-imino-3-(2-methoxyphenyl)-3-(methylhydrazinylidene)-N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]propanamide;N-[(Z)-[2-imino-1-(2-methoxyphenyl)propylidene]amino]methanamine;N-[[4-(2-methyl-4-pyridinyl)cyclohexyl]methyl]formamide is sourced from PubChem (CID 142279769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).