N-[(1R)-1-cyclohexyl-2-oxo-2-(3-pyridin-2-ylpropylamino)ethyl]-3,4-dimethylbenzamide

C25H33N3O2 — CID 144765836

IUPACN-[(1R)-1-cyclohexyl-2-oxo-2-(3-pyridin-2-ylpropylamino)ethyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N[C@@H](C(=O)NCCCc2ccccn2)C2CCCCC2)cc1C
InChIInChI=1S/C25H33N3O2/c1-18-13-14-21(17-19(18)2)24(29)28-23(20-9-4-3-5-10-20)25(30)27-16-8-12-22-11-6-7-15-26-22/h6-7,11,13-15,17,20,23H,3-5,8-10,12,16H2,1-2H3,(H,27,30)(H,28,29)/t23-/m1/s1
InChIKeyAEOAFSDHIBPBMA-HSZRJFAPSA-N
MW407.56 g/mol
LogP4.13
Rot. Bonds8

About N-[(1R)-1-cyclohexyl-2-oxo-2-(3-pyridin-2-ylpropylamino)ethyl]-3,4-dimethylbenzamide

N-[(1R)-1-cyclohexyl-2-oxo-2-(3-pyridin-2-ylpropylamino)ethyl]-3,4-dimethylbenzamide (PubChem CID 144765836) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is N-[(1R)-1-cyclohexyl-2-oxo-2-(3-pyridin-2-ylpropylamino)ethyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[(1R)-1-cyclohexyl-2-oxo-2-(3-pyridin-2-ylpropylamino)ethyl]-3,4-dimethylbenzamide
PubChem CID144765836
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC NameN-[(1R)-1-cyclohexyl-2-oxo-2-(3-pyridin-2-ylpropylamino)ethyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N[C@@H](C(=O)NCCCc2ccccn2)C2CCCCC2)cc1C
InChIInChI=1S/C25H33N3O2/c1-18-13-14-21(17-19(18)2)24(29)28-23(20-9-4-3-5-10-20)25(30)27-16-8-12-22-11-6-7-15-26-22/h6-7,11,13-15,17,20,23H,3-5,8-10,12,16H2,1-2H3,(H,27,30)(H,28,29)/t23-/m1/s1
InChIKeyAEOAFSDHIBPBMA-HSZRJFAPSA-N
XLogP4.13
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(1R)-1-cyclohexyl-2-oxo-2-(3-pyridin-2-ylpropylamino)ethyl]-3,4-dimethylbenzamide with MolForge

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Launch Full Analysis

Related Compounds

1-cyclopentyl-3-(3-pyridin-2-ylpropyl)urea
CID 110661120
3,4-dimethyl-N-[(1S)-2-oxo-2-(2-pyridin-2-ylethylamino)-1-thiophen-2-ylethyl]benzamide
CID 144765905
3,4-dichloro-N-(3-pyridin-2-ylpropyl)benzamide
CID 110660973
N-[(2R)-3-(4-cyanophenyl)-1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]-3,4-dimethylbenzamide
CID 144765851
4-bromo-3-hydroxy-N-(3-pyridin-2-ylpropyl)benzamide
CID 86781630
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-3,4-dimethylbenzamide
CID 91773593
N-(3-pyridin-2-ylpropyl)pyridine-2-carboxamide
CID 110660927
4-methoxy-3-methyl-N-[(2R)-1-oxo-3-phenylmethoxy-1-(2-pyridin-2-ylethylamino)propan-2-yl]benzamide
CID 144765894
N-(3-pyridin-2-ylpropyl)azepane-4-carboxamide
CID 122565402
(1R)-1-cyclohexyl-N-(2-pyridin-2-ylethyl)ethanamine
CID 15206944
1-cyclohexyl-N-(2-pyridin-2-ylethyl)ethanamine
CID 15206943
N-(cyclohexylmethyl)-3,4-dimethylbenzamide
CID 55349047

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclohexyl-2-oxo-2-(3-pyridin-2-ylpropylamino)ethyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[(1R)-1-cyclohexyl-2-oxo-2-(3-pyridin-2-ylpropylamino)ethyl]-3,4-dimethylbenzamide (CID 144765836) is N-[(1R)-1-cyclohexyl-2-oxo-2-(3-pyridin-2-ylpropylamino)ethyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[(1R)-1-cyclohexyl-2-oxo-2-(3-pyridin-2-ylpropylamino)ethyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[(1R)-1-cyclohexyl-2-oxo-2-(3-pyridin-2-ylpropylamino)ethyl]-3,4-dimethylbenzamide is Cc1ccc(C(=O)N[C@@H](C(=O)NCCCc2ccccn2)C2CCCCC2)cc1C.
What is the InChIKey of N-[(1R)-1-cyclohexyl-2-oxo-2-(3-pyridin-2-ylpropylamino)ethyl]-3,4-dimethylbenzamide?
The InChIKey is AEOAFSDHIBPBMA-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-18-13-14-21(17-19(18)2)24(29)28-23(20-9-4-3-5-10-20)25(30)27-16-8-12-22-11-6-7-15-26-22/h6-7,11,13-15,17,20,23H,3-5,8-10,12,16H2,1-2H3,(H,27,30)(H,28,29)/t23-/m1/s1.
What are the key properties of N-[(1R)-1-cyclohexyl-2-oxo-2-(3-pyridin-2-ylpropylamino)ethyl]-3,4-dimethylbenzamide?
N-[(1R)-1-cyclohexyl-2-oxo-2-(3-pyridin-2-ylpropylamino)ethyl]-3,4-dimethylbenzamide has a molecular weight of 407.56 g/mol, XLogP of 4.13, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclohexyl-2-oxo-2-(3-pyridin-2-ylpropylamino)ethyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 144765836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).