2-amino-N-methyl-N-(4-nitrophenyl)cyclopentane-1-carboxamide

C13H17N3O3 — CID 64822129

IUPAC2-amino-N-methyl-N-(4-nitrophenyl)cyclopentane-1-carboxamide
SMILESCN(C(=O)C1CCCC1N)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H17N3O3/c1-15(13(17)11-3-2-4-12(11)14)9-5-7-10(8-6-9)16(18)19/h5-8,11-12H,2-4,14H2,1H3
InChIKeyMQGNYJJCIHUZFR-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.68
Rot. Bonds3

About 2-amino-N-methyl-N-(4-nitrophenyl)cyclopentane-1-carboxamide

2-amino-N-methyl-N-(4-nitrophenyl)cyclopentane-1-carboxamide (PubChem CID 64822129) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-amino-N-methyl-N-(4-nitrophenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-(4-nitrophenyl)cyclopentane-1-carboxamide
PubChem CID64822129
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name2-amino-N-methyl-N-(4-nitrophenyl)cyclopentane-1-carboxamide
SMILESCN(C(=O)C1CCCC1N)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H17N3O3/c1-15(13(17)11-3-2-4-12(11)14)9-5-7-10(8-6-9)16(18)19/h5-8,11-12H,2-4,14H2,1H3
InChIKeyMQGNYJJCIHUZFR-UHFFFAOYSA-N
XLogP1.68
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.68
H-Bond Donors ≤ 51
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

2-[methyl-[4-(4-nitrophenyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 66738210
2-cyclopentyloxy-N-methyl-N-(4-nitrophenyl)acetamide
CID 75415358
2-amino-N,N-dimethylcyclopentane-1-carboxamide
CID 59215971
2-amino-N-(2-methyl-4-nitrophenyl)cyclopentane-1-carboxamide
CID 64824134
N-methyl-N-(4-nitrophenyl)-3-piperidin-2-ylpropanamide
CID 62210857
N-methyl-N-(4-nitrophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 56684916
2-[cyclopropyl(2-hydroxyethyl)amino]-N-methyl-N-(4-nitrophenyl)acetamide
CID 110899426
(2S)-2-amino-N,3-dimethyl-N-(4-nitrophenyl)butanamide
CID 61148819
2-(4-nitrophenyl)cyclohexan-1-amine
CID 82242146
3,5-dibromo-N-methyl-N-(4-nitrophenyl)benzamide
CID 103910103
(2S)-1-[2-(N-methyl-4-nitroanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119910568
[(1R,2R)-2-aminocyclopentyl] (4-nitrophenyl) carbonate
CID 163959997

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-(4-nitrophenyl)cyclopentane-1-carboxamide?
The IUPAC name of 2-amino-N-methyl-N-(4-nitrophenyl)cyclopentane-1-carboxamide (CID 64822129) is 2-amino-N-methyl-N-(4-nitrophenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 2-amino-N-methyl-N-(4-nitrophenyl)cyclopentane-1-carboxamide?
The canonical SMILES for 2-amino-N-methyl-N-(4-nitrophenyl)cyclopentane-1-carboxamide is CN(C(=O)C1CCCC1N)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-amino-N-methyl-N-(4-nitrophenyl)cyclopentane-1-carboxamide?
The InChIKey is MQGNYJJCIHUZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-15(13(17)11-3-2-4-12(11)14)9-5-7-10(8-6-9)16(18)19/h5-8,11-12H,2-4,14H2,1H3.
What are the key properties of 2-amino-N-methyl-N-(4-nitrophenyl)cyclopentane-1-carboxamide?
2-amino-N-methyl-N-(4-nitrophenyl)cyclopentane-1-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-(4-nitrophenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 64822129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).