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

C14H18N2O3 — CID 1121006

IUPAC2-cyclohexyl-N-(3-nitrophenyl)acetamide
SMILESO=C(CC1CCCCC1)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H18N2O3/c17-14(9-11-5-2-1-3-6-11)15-12-7-4-8-13(10-12)16(18)19/h4,7-8,10-11H,1-3,5-6,9H2,(H,15,17)
InChIKeyUBFHMZTUJNXWSX-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.50
Rot. Bonds4

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

2-cyclohexyl-N-(3-nitrophenyl)acetamide (PubChem CID 1121006) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-cyclohexyl-N-(3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-(3-nitrophenyl)acetamide
PubChem CID1121006
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-cyclohexyl-N-(3-nitrophenyl)acetamide
SMILESO=C(CC1CCCCC1)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H18N2O3/c17-14(9-11-5-2-1-3-6-11)15-12-7-4-8-13(10-12)16(18)19/h4,7-8,10-11H,1-3,5-6,9H2,(H,15,17)
InChIKeyUBFHMZTUJNXWSX-UHFFFAOYSA-N
XLogP3.50
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(3-nitrophenyl)-2-piperidin-4-ylacetamide
CID 119670753
2-cyclohexyl-N-(4-nitrophenyl)acetamide
CID 2911775
1-(cyclohexylmethyl)-3-(3-nitrophenyl)urea
CID 31772081
N-[3-[(2-cyclohexylacetyl)amino]phenyl]cyclopropanecarboxamide
CID 46570451
2-cyclohexyl-N-(3-phenylphenyl)acetamide
CID 53348155
(2R)-2-(cyclohexylazaniumyl)-4-(3-nitroanilino)-4-oxobutanoate
CID 7166228
2-iodo-N-(3-nitrophenyl)acetamide
CID 12611682
2-cyclohexyl-N-(4-fluoro-3-nitrophenyl)acetamide
CID 4784963
3-[(2-cycloheptylacetyl)amino]benzoic acid
CID 115909872
N-(3-nitrophenyl)-2-piperidin-1-ylacetamide
CID 687323
N-[3-(bromomethyl)phenyl]-2-cyclopentylacetamide
CID 114307300
N-(3-nitrophenyl)-3-[(2S)-oxolan-2-yl]propanamide
CID 39095709

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-(3-nitrophenyl)acetamide?
The IUPAC name of 2-cyclohexyl-N-(3-nitrophenyl)acetamide (CID 1121006) is 2-cyclohexyl-N-(3-nitrophenyl)acetamide.
What is the SMILES notation for 2-cyclohexyl-N-(3-nitrophenyl)acetamide?
The canonical SMILES for 2-cyclohexyl-N-(3-nitrophenyl)acetamide is O=C(CC1CCCCC1)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-cyclohexyl-N-(3-nitrophenyl)acetamide?
The InChIKey is UBFHMZTUJNXWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-14(9-11-5-2-1-3-6-11)15-12-7-4-8-13(10-12)16(18)19/h4,7-8,10-11H,1-3,5-6,9H2,(H,15,17).
What are the key properties of 2-cyclohexyl-N-(3-nitrophenyl)acetamide?
2-cyclohexyl-N-(3-nitrophenyl)acetamide has a molecular weight of 262.31 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-(3-nitrophenyl)acetamide is sourced from PubChem (CID 1121006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).