N-[2-(aminomethyl)cyclohexyl]-2-(3-nitrophenyl)acetamide

C15H21N3O3 — CID 115737499

IUPACN-[2-(aminomethyl)cyclohexyl]-2-(3-nitrophenyl)acetamide
SMILESNCC1CCCCC1NC(=O)Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H21N3O3/c16-10-12-5-1-2-7-14(12)17-15(19)9-11-4-3-6-13(8-11)18(20)21/h3-4,6,8,12,14H,1-2,5,7,9-10,16H2,(H,17,19)
InChIKeyFPMXTILPLDYPBH-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.77
Rot. Bonds5

About N-[2-(aminomethyl)cyclohexyl]-2-(3-nitrophenyl)acetamide

N-[2-(aminomethyl)cyclohexyl]-2-(3-nitrophenyl)acetamide (PubChem CID 115737499) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-2-(3-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-2-(3-nitrophenyl)acetamide
PubChem CID115737499
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-2-(3-nitrophenyl)acetamide
SMILESNCC1CCCCC1NC(=O)Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H21N3O3/c16-10-12-5-1-2-7-14(12)17-15(19)9-11-4-3-6-13(8-11)18(20)21/h3-4,6,8,12,14H,1-2,5,7,9-10,16H2,(H,17,19)
InChIKeyFPMXTILPLDYPBH-UHFFFAOYSA-N
XLogP1.77
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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-(aminomethyl)cyclohexyl]-2-(3-nitrophenyl)acetamide;hydrochloride
CID 119610894
N-(2-aminocyclohexyl)-2-(3-nitrophenyl)acetamide
CID 104541060
N-(2-methylpiperidin-3-yl)-2-(3-nitrophenyl)acetamide
CID 114695003
N-[2-(aminomethyl)cyclohexyl]-2-(4-nitrophenyl)sulfanylacetamide
CID 119611368
N-(azetidin-3-yl)-2-(3-nitrophenyl)acetamide
CID 113265632
N-[2-(aminomethyl)cyclohexyl]-4-(4-nitroanilino)butanamide;hydrochloride
CID 119611458
N-[2-(aminomethyl)cyclohexyl]-2-(4-aminophenyl)acetamide
CID 122080741
N-[(2-methylpropan-2-yl)oxy]-2-(3-nitrophenyl)acetamide
CID 90891975
N-[(1S,2R)-2-(aminomethyl)cyclohexyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]acetamide
CID 99776123
N-[2-(aminomethyl)cyclopentyl]-2-naphthalen-2-ylacetamide;hydrochloride
CID 119600586
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

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-(3-nitrophenyl)acetamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-(3-nitrophenyl)acetamide (CID 115737499) is N-[2-(aminomethyl)cyclohexyl]-2-(3-nitrophenyl)acetamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-2-(3-nitrophenyl)acetamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-2-(3-nitrophenyl)acetamide is NCC1CCCCC1NC(=O)Cc1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-2-(3-nitrophenyl)acetamide?
The InChIKey is FPMXTILPLDYPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c16-10-12-5-1-2-7-14(12)17-15(19)9-11-4-3-6-13(8-11)18(20)21/h3-4,6,8,12,14H,1-2,5,7,9-10,16H2,(H,17,19).
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-2-(3-nitrophenyl)acetamide?
N-[2-(aminomethyl)cyclohexyl]-2-(3-nitrophenyl)acetamide has a molecular weight of 291.35 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-2-(3-nitrophenyl)acetamide is sourced from PubChem (CID 115737499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).