N-(cyclohexylmethyl)-2-(3-hydroxypyrrolidin-1-yl)-4-(methylamino)-5-(methylideneamino)benzamide

C20H30N4O2 — CID 123819485

IUPACN-(cyclohexylmethyl)-2-(3-hydroxypyrrolidin-1-yl)-4-(methylamino)-5-(methylideneamino)benzamide
SMILESC=Nc1cc(C(=O)NCC2CCCCC2)c(N2CCC(O)C2)cc1NC
InChIInChI=1S/C20H30N4O2/c1-21-17-10-16(20(26)23-12-14-6-4-3-5-7-14)19(11-18(17)22-2)24-9-8-15(25)13-24/h10-11,14-15,22,25H,1,3-9,12-13H2,2H3,(H,23,26)
InChIKeyJHMKGUCUWFHDLG-UHFFFAOYSA-N
MW358.49 g/mol
LogP2.94
Rot. Bonds6

About N-(cyclohexylmethyl)-2-(3-hydroxypyrrolidin-1-yl)-4-(methylamino)-5-(methylideneamino)benzamide

N-(cyclohexylmethyl)-2-(3-hydroxypyrrolidin-1-yl)-4-(methylamino)-5-(methylideneamino)benzamide (PubChem CID 123819485) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-(3-hydroxypyrrolidin-1-yl)-4-(methylamino)-5-(methylideneamino)benzamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-(3-hydroxypyrrolidin-1-yl)-4-(methylamino)-5-(methylideneamino)benzamide
PubChem CID123819485
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC NameN-(cyclohexylmethyl)-2-(3-hydroxypyrrolidin-1-yl)-4-(methylamino)-5-(methylideneamino)benzamide
SMILESC=Nc1cc(C(=O)NCC2CCCCC2)c(N2CCC(O)C2)cc1NC
InChIInChI=1S/C20H30N4O2/c1-21-17-10-16(20(26)23-12-14-6-4-3-5-7-14)19(11-18(17)22-2)24-9-8-15(25)13-24/h10-11,14-15,22,25H,1,3-9,12-13H2,2H3,(H,23,26)
InChIKeyJHMKGUCUWFHDLG-UHFFFAOYSA-N
XLogP2.94
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(cyclohexylmethyl)-2-(3-hydroxy-3-methylazetidin-1-yl)-4-(methylamino)-5-(methylideneamino)benzamide
CID 123281677
5-amino-N-(cyclohexylmethyl)-4-(methylamino)-2-piperidin-1-ylbenzamide
CID 123494767
2-chloro-N-(cyclooctylmethyl)-5-piperazin-1-ylbenzamide;methane
CID 173258924
N-(cyclopentylmethyl)-2-piperidin-1-yl-5-piperidin-1-ylsulfonylbenzamide
CID 55612373
N-(cyclohexylmethyl)-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide
CID 42848215
5-chloro-N-(cyclohexylmethyl)-2-fluorobenzamide
CID 60674706
4-(methylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-carboxamide
CID 81243360
N-(cyclohexylmethyl)-2-[2-(methylamino)ethyl]benzamide
CID 104547420
5-amino-2-(4-fluoropiperidin-1-yl)-4-(methylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 67978849
1-(cyclohexylmethyl)-3-(4-piperidin-1-ylphenyl)urea
CID 108902937
N-(cyclohexylmethyl)-2,3-dihydroxybenzamide
CID 56679854
5-chloro-N-(cyclohexylmethyl)-2-(ethylamino)benzamide
CID 63500418

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-(3-hydroxypyrrolidin-1-yl)-4-(methylamino)-5-(methylideneamino)benzamide?
The IUPAC name of N-(cyclohexylmethyl)-2-(3-hydroxypyrrolidin-1-yl)-4-(methylamino)-5-(methylideneamino)benzamide (CID 123819485) is N-(cyclohexylmethyl)-2-(3-hydroxypyrrolidin-1-yl)-4-(methylamino)-5-(methylideneamino)benzamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-(3-hydroxypyrrolidin-1-yl)-4-(methylamino)-5-(methylideneamino)benzamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-(3-hydroxypyrrolidin-1-yl)-4-(methylamino)-5-(methylideneamino)benzamide is C=Nc1cc(C(=O)NCC2CCCCC2)c(N2CCC(O)C2)cc1NC.
What is the InChIKey of N-(cyclohexylmethyl)-2-(3-hydroxypyrrolidin-1-yl)-4-(methylamino)-5-(methylideneamino)benzamide?
The InChIKey is JHMKGUCUWFHDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-21-17-10-16(20(26)23-12-14-6-4-3-5-7-14)19(11-18(17)22-2)24-9-8-15(25)13-24/h10-11,14-15,22,25H,1,3-9,12-13H2,2H3,(H,23,26).
What are the key properties of N-(cyclohexylmethyl)-2-(3-hydroxypyrrolidin-1-yl)-4-(methylamino)-5-(methylideneamino)benzamide?
N-(cyclohexylmethyl)-2-(3-hydroxypyrrolidin-1-yl)-4-(methylamino)-5-(methylideneamino)benzamide has a molecular weight of 358.49 g/mol, XLogP of 2.94, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-(3-hydroxypyrrolidin-1-yl)-4-(methylamino)-5-(methylideneamino)benzamide is sourced from PubChem (CID 123819485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).