N-(cyclohexylcarbamoyl)-2-[methyl(3-phenoxypropyl)amino]propanamide

C20H31N3O3 — CID 46483737

IUPACN-(cyclohexylcarbamoyl)-2-[methyl(3-phenoxypropyl)amino]propanamide
SMILESCC(C(=O)NC(=O)NC1CCCCC1)N(C)CCCOc1ccccc1
InChIInChI=1S/C20H31N3O3/c1-16(19(24)22-20(25)21-17-10-5-3-6-11-17)23(2)14-9-15-26-18-12-7-4-8-13-18/h4,7-8,12-13,16-17H,3,5-6,9-11,14-15H2,1-2H3,(H2,21,22,24,25)
InChIKeyVGPCVDMEDZBRHR-UHFFFAOYSA-N
MW361.49 g/mol
LogP2.93
Rot. Bonds8

About N-(cyclohexylcarbamoyl)-2-[methyl(3-phenoxypropyl)amino]propanamide

N-(cyclohexylcarbamoyl)-2-[methyl(3-phenoxypropyl)amino]propanamide (PubChem CID 46483737) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-(cyclohexylcarbamoyl)-2-[methyl(3-phenoxypropyl)amino]propanamide.

Molecular Properties

Compound NameN-(cyclohexylcarbamoyl)-2-[methyl(3-phenoxypropyl)amino]propanamide
PubChem CID46483737
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC NameN-(cyclohexylcarbamoyl)-2-[methyl(3-phenoxypropyl)amino]propanamide
SMILESCC(C(=O)NC(=O)NC1CCCCC1)N(C)CCCOc1ccccc1
InChIInChI=1S/C20H31N3O3/c1-16(19(24)22-20(25)21-17-10-5-3-6-11-17)23(2)14-9-15-26-18-12-7-4-8-13-18/h4,7-8,12-13,16-17H,3,5-6,9-11,14-15H2,1-2H3,(H2,21,22,24,25)
InChIKeyVGPCVDMEDZBRHR-UHFFFAOYSA-N
XLogP2.93
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-(methylcarbamoyl)-2-[methyl(3-phenoxypropyl)amino]propanamide
CID 37115733
2-[(2-bromophenyl)methyl-methylamino]-N-(cyclohexylcarbamoyl)propanamide
CID 55354630
2-[(2-chlorophenyl)methyl-methylamino]-N-(cyclohexylcarbamoyl)propanamide
CID 46801701
N-(methylcarbamoyl)-2-[methyl(2-phenoxyethyl)amino]propanamide
CID 18083553
(2R)-2-[2-(4-bromophenoxy)ethyl-methylamino]-N-cyclohexylpropanamide
CID 25494848
(2S)-N-(cyclohexylcarbamoyl)-2-[(4-methoxyphenyl)methyl-methylamino]propanamide
CID 8760985
(2S)-2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-cyclopentylpropanamide
CID 7830989
(2R)-N-(cyclohexylcarbamoyl)-2-[(4-fluorophenyl)methyl-methylamino]propanamide
CID 9251729
(2R)-N-(cyclohexylcarbamoyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 9222589
(2R)-N-(cyclohexylcarbamoyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide
CID 9053534
2-[2-(3-chlorophenoxy)ethyl-methylamino]-N-cyclopentylpropanamide
CID 18094726
(2S)-N-cyclopentyl-2-(3-phenoxypropanoylamino)propanamide
CID 95292067

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylcarbamoyl)-2-[methyl(3-phenoxypropyl)amino]propanamide?
The IUPAC name of N-(cyclohexylcarbamoyl)-2-[methyl(3-phenoxypropyl)amino]propanamide (CID 46483737) is N-(cyclohexylcarbamoyl)-2-[methyl(3-phenoxypropyl)amino]propanamide.
What is the SMILES notation for N-(cyclohexylcarbamoyl)-2-[methyl(3-phenoxypropyl)amino]propanamide?
The canonical SMILES for N-(cyclohexylcarbamoyl)-2-[methyl(3-phenoxypropyl)amino]propanamide is CC(C(=O)NC(=O)NC1CCCCC1)N(C)CCCOc1ccccc1.
What is the InChIKey of N-(cyclohexylcarbamoyl)-2-[methyl(3-phenoxypropyl)amino]propanamide?
The InChIKey is VGPCVDMEDZBRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-16(19(24)22-20(25)21-17-10-5-3-6-11-17)23(2)14-9-15-26-18-12-7-4-8-13-18/h4,7-8,12-13,16-17H,3,5-6,9-11,14-15H2,1-2H3,(H2,21,22,24,25).
What are the key properties of N-(cyclohexylcarbamoyl)-2-[methyl(3-phenoxypropyl)amino]propanamide?
N-(cyclohexylcarbamoyl)-2-[methyl(3-phenoxypropyl)amino]propanamide has a molecular weight of 361.49 g/mol, XLogP of 2.93, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylcarbamoyl)-2-[methyl(3-phenoxypropyl)amino]propanamide is sourced from PubChem (CID 46483737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).