N-(2-amino-1-cyclopentylethyl)-2-(4-nitrophenyl)acetamide

C15H21N3O3 — CID 106737533

IUPACN-(2-amino-1-cyclopentylethyl)-2-(4-nitrophenyl)acetamide
SMILESNCC(NC(=O)Cc1ccc([N+](=O)[O-])cc1)C1CCCC1
InChIInChI=1S/C15H21N3O3/c16-10-14(12-3-1-2-4-12)17-15(19)9-11-5-7-13(8-6-11)18(20)21/h5-8,12,14H,1-4,9-10,16H2,(H,17,19)
InChIKeyBVWHZEKUCUIBPL-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.77
Rot. Bonds6

About N-(2-amino-1-cyclopentylethyl)-2-(4-nitrophenyl)acetamide

N-(2-amino-1-cyclopentylethyl)-2-(4-nitrophenyl)acetamide (PubChem CID 106737533) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-(2-amino-1-cyclopentylethyl)-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopentylethyl)-2-(4-nitrophenyl)acetamide
PubChem CID106737533
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-(2-amino-1-cyclopentylethyl)-2-(4-nitrophenyl)acetamide
SMILESNCC(NC(=O)Cc1ccc([N+](=O)[O-])cc1)C1CCCC1
InChIInChI=1S/C15H21N3O3/c16-10-14(12-3-1-2-4-12)17-15(19)9-11-5-7-13(8-6-11)18(20)21/h5-8,12,14H,1-4,9-10,16H2,(H,17,19)
InChIKeyBVWHZEKUCUIBPL-UHFFFAOYSA-N
XLogP1.77
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-4-(4-nitroanilino)butanamide
CID 119591165
N-(2-amino-1-cyclohexylethyl)-2-[4-(difluoromethoxy)phenyl]acetamide;hydrochloride
CID 119590309
2-cyclopropyl-2-[[2-(4-nitrophenyl)acetyl]amino]acetic acid
CID 62696087
N-cyclopropyl-2-(4-nitrophenyl)acetamide
CID 4249885
N-(2-amino-1-cyclohexylethyl)-5-nitro-1-benzothiophene-2-carboxamide
CID 119590036
N-(2-amino-1-cyclopentylethyl)-4-nitrobenzenesulfonamide;hydrochloride
CID 86820092
N-(2-amino-1-cyclopropylethyl)-3-(4-nitrophenyl)prop-2-enamide
CID 77058189
N-(2-amino-1-cyclopropylethyl)-2-[4-(2-methylpropyl)phenyl]acetamide;hydrochloride
CID 119615543
N-[cyclopropyl(phenyl)methyl]-2-(4-nitrophenyl)acetamide
CID 46513490
N-(2-amino-1-cyclohexylethyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 119590262
N-(2-amino-1-cyclopentylethyl)-5-nitrothiophene-2-carboxamide
CID 106737535
N-(2-amino-1-cyclohexylethyl)-2-methoxy-5-nitrobenzamide;hydrochloride
CID 119591922

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopentylethyl)-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-(2-amino-1-cyclopentylethyl)-2-(4-nitrophenyl)acetamide (CID 106737533) is N-(2-amino-1-cyclopentylethyl)-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-(2-amino-1-cyclopentylethyl)-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-(2-amino-1-cyclopentylethyl)-2-(4-nitrophenyl)acetamide is NCC(NC(=O)Cc1ccc([N+](=O)[O-])cc1)C1CCCC1.
What is the InChIKey of N-(2-amino-1-cyclopentylethyl)-2-(4-nitrophenyl)acetamide?
The InChIKey is BVWHZEKUCUIBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c16-10-14(12-3-1-2-4-12)17-15(19)9-11-5-7-13(8-6-11)18(20)21/h5-8,12,14H,1-4,9-10,16H2,(H,17,19).
What are the key properties of N-(2-amino-1-cyclopentylethyl)-2-(4-nitrophenyl)acetamide?
N-(2-amino-1-cyclopentylethyl)-2-(4-nitrophenyl)acetamide has a molecular weight of 291.35 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopentylethyl)-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 106737533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).