1-amino-N-methyl-N-[(2-nitrophenyl)methyl]cyclopentane-1-carboxamide

C14H19N3O3 — CID 60946127

IUPAC1-amino-N-methyl-N-[(2-nitrophenyl)methyl]cyclopentane-1-carboxamide
SMILESCN(Cc1ccccc1[N+](=O)[O-])C(=O)C1(N)CCCC1
InChIInChI=1S/C14H19N3O3/c1-16(13(18)14(15)8-4-5-9-14)10-11-6-2-3-7-12(11)17(19)20/h2-3,6-7H,4-5,8-10,15H2,1H3
InChIKeyITGCJHFJVCCZFC-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.82
Rot. Bonds4

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

1-amino-N-methyl-N-[(2-nitrophenyl)methyl]cyclopentane-1-carboxamide (PubChem CID 60946127) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-amino-N-methyl-N-[(2-nitrophenyl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-methyl-N-[(2-nitrophenyl)methyl]cyclopentane-1-carboxamide
PubChem CID60946127
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name1-amino-N-methyl-N-[(2-nitrophenyl)methyl]cyclopentane-1-carboxamide
SMILESCN(Cc1ccccc1[N+](=O)[O-])C(=O)C1(N)CCCC1
InChIInChI=1S/C14H19N3O3/c1-16(13(18)14(15)8-4-5-9-14)10-11-6-2-3-7-12(11)17(19)20/h2-3,6-7H,4-5,8-10,15H2,1H3
InChIKeyITGCJHFJVCCZFC-UHFFFAOYSA-N
XLogP1.82
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.82
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-(1-aminocyclobutyl)-N-methyl-N-[(2-nitrophenyl)methyl]acetamide
CID 75424637
2-ethyl-N-methyl-N-[(2-nitrophenyl)methyl]pyrrolidine-2-carboxamide
CID 83064403
N-methyl-2-nitro-N-[(2-nitrophenyl)methyl]benzamide
CID 46413108
1-amino-N-(1-benzothiophen-3-ylmethyl)-N-methylcyclopentane-1-carboxamide
CID 119281546
N-methyl-N-[(2-nitrophenyl)methyl]-3-(propan-2-ylamino)propanamide
CID 60945755
1-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide
CID 60937332
N-methyl-N-[(2-nitrophenyl)methyl]but-2-enamide
CID 112726699
4-amino-N,2-dimethyl-N-[(2-nitrophenyl)methyl]butanamide
CID 80542921
9-amino-N-methyl-N-[(2-nitrophenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120985593
2-(azetidin-3-yl)-N-methyl-N-[(2-nitrophenyl)methyl]propanamide
CID 116676410
1-[2-(2-nitrophenyl)ethyl]cyclopentan-1-amine
CID 65020410
ethyl 3-[methyl-[(2-nitrophenyl)methyl]amino]propanoate
CID 61372410

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-methyl-N-[(2-nitrophenyl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-methyl-N-[(2-nitrophenyl)methyl]cyclopentane-1-carboxamide (CID 60946127) is 1-amino-N-methyl-N-[(2-nitrophenyl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-methyl-N-[(2-nitrophenyl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-methyl-N-[(2-nitrophenyl)methyl]cyclopentane-1-carboxamide is CN(Cc1ccccc1[N+](=O)[O-])C(=O)C1(N)CCCC1.
What is the InChIKey of 1-amino-N-methyl-N-[(2-nitrophenyl)methyl]cyclopentane-1-carboxamide?
The InChIKey is ITGCJHFJVCCZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-16(13(18)14(15)8-4-5-9-14)10-11-6-2-3-7-12(11)17(19)20/h2-3,6-7H,4-5,8-10,15H2,1H3.
What are the key properties of 1-amino-N-methyl-N-[(2-nitrophenyl)methyl]cyclopentane-1-carboxamide?
1-amino-N-methyl-N-[(2-nitrophenyl)methyl]cyclopentane-1-carboxamide has a molecular weight of 277.32 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-methyl-N-[(2-nitrophenyl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 60946127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).