N-benzyl-2-(cyclohexylcarbamoylamino)propanamide

C17H25N3O2 — CID 60573206

IUPACN-benzyl-2-(cyclohexylcarbamoylamino)propanamide
SMILESCC(NC(=O)NC1CCCCC1)C(=O)NCc1ccccc1
InChIInChI=1S/C17H25N3O2/c1-13(16(21)18-12-14-8-4-2-5-9-14)19-17(22)20-15-10-6-3-7-11-15/h2,4-5,8-9,13,15H,3,6-7,10-12H2,1H3,(H,18,21)(H2,19,20,22)
InChIKeyCQBQCKBCHZXHGO-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.32
Rot. Bonds5

About N-benzyl-2-(cyclohexylcarbamoylamino)propanamide

N-benzyl-2-(cyclohexylcarbamoylamino)propanamide (PubChem CID 60573206) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-benzyl-2-(cyclohexylcarbamoylamino)propanamide.

Molecular Properties

Compound NameN-benzyl-2-(cyclohexylcarbamoylamino)propanamide
PubChem CID60573206
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-benzyl-2-(cyclohexylcarbamoylamino)propanamide
SMILESCC(NC(=O)NC1CCCCC1)C(=O)NCc1ccccc1
InChIInChI=1S/C17H25N3O2/c1-13(16(21)18-12-14-8-4-2-5-9-14)19-17(22)20-15-10-6-3-7-11-15/h2,4-5,8-9,13,15H,3,6-7,10-12H2,1H3,(H,18,21)(H2,19,20,22)
InChIKeyCQBQCKBCHZXHGO-UHFFFAOYSA-N
XLogP2.32
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-4-cyclohexylbenzamide
CID 52506120
benzyl N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]carbamate
CID 18108659
benzyl N-[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl]carbamate
CID 39958646
2-(cyclohexylcarbamoylamino)-N-propylpropanamide
CID 47112302
benzyl N-[1-(cyclopentylamino)-1-oxopropan-2-yl]carbamate
CID 42885017
N-[1-(benzylamino)-1-oxopropan-2-yl]-2-hydroxycyclopentane-1-carboxamide
CID 110014271
(2S)-2-(cyclohexylcarbamoylamino)-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 110348870
N-benzyl-1-[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 46631267
N-cyclopentyl-2-(cyclopropylcarbamoylamino)propanamide
CID 47076626
N-benzyl-N'-cyclohexylpropanediamide
CID 108942512
1-cyclohexyl-3-[(1R)-1-phenylethyl]urea
CID 840473
1-benzyl-3-(cyclohexylcarbamothioyl)urea
CID 134871380

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(cyclohexylcarbamoylamino)propanamide?
The IUPAC name of N-benzyl-2-(cyclohexylcarbamoylamino)propanamide (CID 60573206) is N-benzyl-2-(cyclohexylcarbamoylamino)propanamide.
What is the SMILES notation for N-benzyl-2-(cyclohexylcarbamoylamino)propanamide?
The canonical SMILES for N-benzyl-2-(cyclohexylcarbamoylamino)propanamide is CC(NC(=O)NC1CCCCC1)C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(cyclohexylcarbamoylamino)propanamide?
The InChIKey is CQBQCKBCHZXHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-13(16(21)18-12-14-8-4-2-5-9-14)19-17(22)20-15-10-6-3-7-11-15/h2,4-5,8-9,13,15H,3,6-7,10-12H2,1H3,(H,18,21)(H2,19,20,22).
What are the key properties of N-benzyl-2-(cyclohexylcarbamoylamino)propanamide?
N-benzyl-2-(cyclohexylcarbamoylamino)propanamide has a molecular weight of 303.41 g/mol, XLogP of 2.32, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(cyclohexylcarbamoylamino)propanamide is sourced from PubChem (CID 60573206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).