N-(2-aminocyclohexyl)-2-(3-nitrophenyl)acetamide

C14H19N3O3 — CID 104541060

IUPACN-(2-aminocyclohexyl)-2-(3-nitrophenyl)acetamide
SMILESNC1CCCCC1NC(=O)Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H19N3O3/c15-12-6-1-2-7-13(12)16-14(18)9-10-4-3-5-11(8-10)17(19)20/h3-5,8,12-13H,1-2,6-7,9,15H2,(H,16,18)
InChIKeyJDRURKCXRPCJCI-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.52
Rot. Bonds4

About N-(2-aminocyclohexyl)-2-(3-nitrophenyl)acetamide

N-(2-aminocyclohexyl)-2-(3-nitrophenyl)acetamide (PubChem CID 104541060) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-(2-aminocyclohexyl)-2-(3-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(2-aminocyclohexyl)-2-(3-nitrophenyl)acetamide
PubChem CID104541060
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-(2-aminocyclohexyl)-2-(3-nitrophenyl)acetamide
SMILESNC1CCCCC1NC(=O)Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H19N3O3/c15-12-6-1-2-7-13(12)16-14(18)9-10-4-3-5-11(8-10)17(19)20/h3-5,8,12-13H,1-2,6-7,9,15H2,(H,16,18)
InChIKeyJDRURKCXRPCJCI-UHFFFAOYSA-N
XLogP1.52
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.52
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-(aminomethyl)cyclohexyl]-2-(3-nitrophenyl)acetamide
CID 115737499
N-[2-(aminomethyl)cyclohexyl]-2-(3-nitrophenyl)acetamide;hydrochloride
CID 119610894
N-(2-methylpiperidin-3-yl)-2-(3-nitrophenyl)acetamide
CID 114695003
N-(2-amino-4-ethoxycyclobutyl)-2-(3-nitrophenyl)acetamide
CID 104541091
N-(azetidin-3-yl)-2-(3-nitrophenyl)acetamide
CID 113265632
2-[(3-nitrophenyl)methyl]cyclopentan-1-amine
CID 61381561
1-N,2-N-bis[(3-nitrophenyl)methyl]cyclohexane-1,2-diamine;dihydrochloride
CID 51040610
2-(3-nitrophenyl)-N-(piperidin-2-ylmethyl)acetamide
CID 115736889
2-amino-N-[(3-nitrophenyl)methyl]cyclopentane-1-carboxamide
CID 64824627
2-[(3-nitrophenyl)methylamino]cyclohexan-1-ol
CID 62367003
1-cyclopropyl-2-(3-nitrophenyl)ethanone
CID 147564014
N-[(1R,2R)-2-aminocyclohexyl]-2-(3,4-dimethylphenyl)acetamide
CID 94471268

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclohexyl)-2-(3-nitrophenyl)acetamide?
The IUPAC name of N-(2-aminocyclohexyl)-2-(3-nitrophenyl)acetamide (CID 104541060) is N-(2-aminocyclohexyl)-2-(3-nitrophenyl)acetamide.
What is the SMILES notation for N-(2-aminocyclohexyl)-2-(3-nitrophenyl)acetamide?
The canonical SMILES for N-(2-aminocyclohexyl)-2-(3-nitrophenyl)acetamide is NC1CCCCC1NC(=O)Cc1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(2-aminocyclohexyl)-2-(3-nitrophenyl)acetamide?
The InChIKey is JDRURKCXRPCJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c15-12-6-1-2-7-13(12)16-14(18)9-10-4-3-5-11(8-10)17(19)20/h3-5,8,12-13H,1-2,6-7,9,15H2,(H,16,18).
What are the key properties of N-(2-aminocyclohexyl)-2-(3-nitrophenyl)acetamide?
N-(2-aminocyclohexyl)-2-(3-nitrophenyl)acetamide has a molecular weight of 277.32 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclohexyl)-2-(3-nitrophenyl)acetamide is sourced from PubChem (CID 104541060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).