N-[4-(cyclopentylmethylamino)phenyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide

C25H33N3O2 — CID 56533856

IUPACN-[4-(cyclopentylmethylamino)phenyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
SMILESCC(C)C(NC(=O)Cc1ccccc1)C(=O)Nc1ccc(NCC2CCCC2)cc1
InChIInChI=1S/C25H33N3O2/c1-18(2)24(28-23(29)16-19-8-4-3-5-9-19)25(30)27-22-14-12-21(13-15-22)26-17-20-10-6-7-11-20/h3-5,8-9,12-15,18,20,24,26H,6-7,10-11,16-17H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyPQNDQPINJPMHOH-UHFFFAOYSA-N
MW407.56 g/mol
LogP4.61
Rot. Bonds9

About N-[4-(cyclopentylmethylamino)phenyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide

N-[4-(cyclopentylmethylamino)phenyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide (PubChem CID 56533856) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is N-[4-(cyclopentylmethylamino)phenyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide.

Molecular Properties

Compound NameN-[4-(cyclopentylmethylamino)phenyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
PubChem CID56533856
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC NameN-[4-(cyclopentylmethylamino)phenyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
SMILESCC(C)C(NC(=O)Cc1ccccc1)C(=O)Nc1ccc(NCC2CCCC2)cc1
InChIInChI=1S/C25H33N3O2/c1-18(2)24(28-23(29)16-19-8-4-3-5-9-19)25(30)27-22-14-12-21(13-15-22)26-17-20-10-6-7-11-20/h3-5,8-9,12-15,18,20,24,26H,6-7,10-11,16-17H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyPQNDQPINJPMHOH-UHFFFAOYSA-N
XLogP4.61
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(4-methylphenyl)-2-[(2-phenylacetyl)amino]butanamide
CID 71534500
N-cyclopentyl-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 42909311
N-[2-(cycloheptylamino)ethyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 119619459
(2S)-3-methyl-N-(3-methylphenyl)-2-[(2-phenylacetyl)amino]butanamide
CID 9038834
(4-acetamidophenyl) 3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 51152582
N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 60569312
N-(cycloheptylmethyl)-2-phenylacetamide
CID 54313529
(2R)-3-methyl-N-(2-methyl-4-pyridinyl)-2-[(2-phenylacetyl)amino]butanamide
CID 96526958
N-[2-(aminomethyl)cyclopentyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride
CID 119601158
3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-[(2-phenylacetyl)amino]butanamide
CID 134019800
benzyl N-[(2S)-3-methyl-1-oxo-1-[4-(oxolan-2-ylmethylcarbamoylamino)anilino]butan-2-yl]carbamate
CID 55934824
3-methyl-N-(3-methylsulfonylphenyl)-2-[(2-phenylacetyl)amino]butanamide
CID 55416154

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopentylmethylamino)phenyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide?
The IUPAC name of N-[4-(cyclopentylmethylamino)phenyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide (CID 56533856) is N-[4-(cyclopentylmethylamino)phenyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide.
What is the SMILES notation for N-[4-(cyclopentylmethylamino)phenyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide?
The canonical SMILES for N-[4-(cyclopentylmethylamino)phenyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide is CC(C)C(NC(=O)Cc1ccccc1)C(=O)Nc1ccc(NCC2CCCC2)cc1.
What is the InChIKey of N-[4-(cyclopentylmethylamino)phenyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide?
The InChIKey is PQNDQPINJPMHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-18(2)24(28-23(29)16-19-8-4-3-5-9-19)25(30)27-22-14-12-21(13-15-22)26-17-20-10-6-7-11-20/h3-5,8-9,12-15,18,20,24,26H,6-7,10-11,16-17H2,1-2H3,(H,27,30)(H,28,29).
What are the key properties of N-[4-(cyclopentylmethylamino)phenyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide?
N-[4-(cyclopentylmethylamino)phenyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide has a molecular weight of 407.56 g/mol, XLogP of 4.61, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopentylmethylamino)phenyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide is sourced from PubChem (CID 56533856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).