ethane;N-[[4-[2-(1-methoxybutan-2-yl)hydrazinyl]-1-phenylcyclohexyl]methyl]-2-methylbenzamide

C28H43N3O2 — CID 142271283

IUPACethane;N-[[4-[2-(1-methoxybutan-2-yl)hydrazinyl]-1-phenylcyclohexyl]methyl]-2-methylbenzamide
SMILESCC.CCC(COC)NNC1CCC(CNC(=O)c2ccccc2C)(c2ccccc2)CC1
InChIInChI=1S/C26H37N3O2.C2H6/c1-4-22(18-31-3)28-29-23-14-16-26(17-15-23,21-11-6-5-7-12-21)19-27-25(30)24-13-9-8-10-20(24)2;1-2/h5-13,22-23,28-29H,4,14-19H2,1-3H3,(H,27,30);1-2H3
InChIKeyNDQUXAHFDNAELP-UHFFFAOYSA-N
MW453.67 g/mol
LogP5.15
Rot. Bonds10

About ethane;N-[[4-[2-(1-methoxybutan-2-yl)hydrazinyl]-1-phenylcyclohexyl]methyl]-2-methylbenzamide

ethane;N-[[4-[2-(1-methoxybutan-2-yl)hydrazinyl]-1-phenylcyclohexyl]methyl]-2-methylbenzamide (PubChem CID 142271283) has the molecular formula C28H43N3O2 and a molecular weight of 453.67 g/mol. Its IUPAC name is ethane;N-[[4-[2-(1-methoxybutan-2-yl)hydrazinyl]-1-phenylcyclohexyl]methyl]-2-methylbenzamide.

Molecular Properties

Compound Nameethane;N-[[4-[2-(1-methoxybutan-2-yl)hydrazinyl]-1-phenylcyclohexyl]methyl]-2-methylbenzamide
PubChem CID142271283
Molecular FormulaC28H43N3O2
Molecular Weight453.67 g/mol
Exact Mass453.34
IUPAC Nameethane;N-[[4-[2-(1-methoxybutan-2-yl)hydrazinyl]-1-phenylcyclohexyl]methyl]-2-methylbenzamide
SMILESCC.CCC(COC)NNC1CCC(CNC(=O)c2ccccc2C)(c2ccccc2)CC1
InChIInChI=1S/C26H37N3O2.C2H6/c1-4-22(18-31-3)28-29-23-14-16-26(17-15-23,21-11-6-5-7-12-21)19-27-25(30)24-13-9-8-10-20(24)2;1-2/h5-13,22-23,28-29H,4,14-19H2,1-3H3,(H,27,30);1-2H3
InChIKeyNDQUXAHFDNAELP-UHFFFAOYSA-N
XLogP5.15
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.67
LogP ≤ 55.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-[[4-(1-methoxybutan-2-ylsulfamoylamino)-1-phenylcyclohexyl]methyl]benzamide
CID 58842388
2-methoxy-N-[[4-(2-methoxyethylamino)-1-phenylcyclohexyl]methyl]benzamide
CID 58842305
N-[(4-ethyl-1-phenylcyclohexyl)methyl]-2-methoxybenzamide
CID 142271522
N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]-2-methylbenzamide
CID 113090881
2-methoxy-N-[[1-phenyl-4-(pyridin-2-ylmethylamino)cyclohexyl]methyl]benzamide
CID 70829537
N-[[4-[1-amino-1-(2H-azirin-3-ylimino)but-3-en-2-yl]-1-phenylcyclohexyl]methyl]-2-methylbenzamide
CID 142271448
[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-(4-methoxybutyl)carbamate
CID 20596159
1-(2-methylphenyl)-N-[(4-methyl-1-phenylcyclohexyl)methyl]ethenamine
CID 142271338
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-methylbenzamide
CID 27449958
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-methylbenzamide
CID 27449030
ethyl N-[N'-benzyl-N-[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl]carbamimidoyl]carbamate
CID 58842525
2-methoxy-N-[[4-(methylamino)-1-phenylcyclohexyl]methyl]benzamide;2-methoxy-N-[[4-(methylsulfonylcarbamoylamino)-1-phenylcyclohexyl]methyl]benzamide
CID 157499137

Frequently Asked Questions

What is the IUPAC name of ethane;N-[[4-[2-(1-methoxybutan-2-yl)hydrazinyl]-1-phenylcyclohexyl]methyl]-2-methylbenzamide?
The IUPAC name of ethane;N-[[4-[2-(1-methoxybutan-2-yl)hydrazinyl]-1-phenylcyclohexyl]methyl]-2-methylbenzamide (CID 142271283) is ethane;N-[[4-[2-(1-methoxybutan-2-yl)hydrazinyl]-1-phenylcyclohexyl]methyl]-2-methylbenzamide.
What is the SMILES notation for ethane;N-[[4-[2-(1-methoxybutan-2-yl)hydrazinyl]-1-phenylcyclohexyl]methyl]-2-methylbenzamide?
The canonical SMILES for ethane;N-[[4-[2-(1-methoxybutan-2-yl)hydrazinyl]-1-phenylcyclohexyl]methyl]-2-methylbenzamide is CC.CCC(COC)NNC1CCC(CNC(=O)c2ccccc2C)(c2ccccc2)CC1.
What is the InChIKey of ethane;N-[[4-[2-(1-methoxybutan-2-yl)hydrazinyl]-1-phenylcyclohexyl]methyl]-2-methylbenzamide?
The InChIKey is NDQUXAHFDNAELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O2.C2H6/c1-4-22(18-31-3)28-29-23-14-16-26(17-15-23,21-11-6-5-7-12-21)19-27-25(30)24-13-9-8-10-20(24)2;1-2/h5-13,22-23,28-29H,4,14-19H2,1-3H3,(H,27,30);1-2H3.
What are the key properties of ethane;N-[[4-[2-(1-methoxybutan-2-yl)hydrazinyl]-1-phenylcyclohexyl]methyl]-2-methylbenzamide?
ethane;N-[[4-[2-(1-methoxybutan-2-yl)hydrazinyl]-1-phenylcyclohexyl]methyl]-2-methylbenzamide has a molecular weight of 453.67 g/mol, XLogP of 5.15, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[[4-[2-(1-methoxybutan-2-yl)hydrazinyl]-1-phenylcyclohexyl]methyl]-2-methylbenzamide is sourced from PubChem (CID 142271283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).