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

C21H22N4O3 — CID 102425503

IUPAC2-(2-cyanoanilino)-N-cyclohexyl-2-(3-nitrophenyl)acetamide
SMILESN#Cc1ccccc1NC(C(=O)NC1CCCCC1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C21H22N4O3/c22-14-16-7-4-5-12-19(16)24-20(15-8-6-11-18(13-15)25(27)28)21(26)23-17-9-2-1-3-10-17/h4-8,11-13,17,20,24H,1-3,9-10H2,(H,23,26)
InChIKeyRDGUQNVLEVZIFB-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.07
Rot. Bonds6

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

2-(2-cyanoanilino)-N-cyclohexyl-2-(3-nitrophenyl)acetamide (PubChem CID 102425503) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 2-(2-cyanoanilino)-N-cyclohexyl-2-(3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(2-cyanoanilino)-N-cyclohexyl-2-(3-nitrophenyl)acetamide
PubChem CID102425503
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name2-(2-cyanoanilino)-N-cyclohexyl-2-(3-nitrophenyl)acetamide
SMILESN#Cc1ccccc1NC(C(=O)NC1CCCCC1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C21H22N4O3/c22-14-16-7-4-5-12-19(16)24-20(15-8-6-11-18(13-15)25(27)28)21(26)23-17-9-2-1-3-10-17/h4-8,11-13,17,20,24H,1-3,9-10H2,(H,23,26)
InChIKeyRDGUQNVLEVZIFB-UHFFFAOYSA-N
XLogP4.07
TPSA108.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(2-cyanoanilino)-N-cyclohexyl-2-(4-fluorophenyl)acetamide
CID 102425514
2-cyclopentyl-2-(3-nitrophenyl)acetonitrile
CID 103193927
2-(3-cyano-2-nitroanilino)-N-cyclopropylpropanamide
CID 104718036
N-[1-(3-bromophenyl)-2-(cyclohexylamino)-2-oxoethyl]-3-nitro-N-phenylbenzamide
CID 154709279
2-(3-cyanophenyl)-N-cyclohexyl-2-[3-(trifluoromethyl)anilino]acetamide
CID 69006706
(2S)-2-[(2,2-diphenylacetyl)amino]-2-(3-nitrophenyl)acetic acid
CID 67571498
N-cyclododecyl-4-nitrobenzamide
CID 19168070
N-[(1R,2R)-2-hydroxycyclohexyl]-2-(3-nitrophenyl)propanamide
CID 106592126
N-cyclohexyl-2-(3-nitrophenyl)pyrimidine-5-carboxamide
CID 5035480
(S)-cyclopentyl-(3-nitrophenyl)methanamine
CID 131494278
(R)-cyclopentyl-(3-nitrophenyl)methanamine
CID 130054477
N-cyclooctyl-3,5-dinitrobenzamide
CID 4130171

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanoanilino)-N-cyclohexyl-2-(3-nitrophenyl)acetamide?
The IUPAC name of 2-(2-cyanoanilino)-N-cyclohexyl-2-(3-nitrophenyl)acetamide (CID 102425503) is 2-(2-cyanoanilino)-N-cyclohexyl-2-(3-nitrophenyl)acetamide.
What is the SMILES notation for 2-(2-cyanoanilino)-N-cyclohexyl-2-(3-nitrophenyl)acetamide?
The canonical SMILES for 2-(2-cyanoanilino)-N-cyclohexyl-2-(3-nitrophenyl)acetamide is N#Cc1ccccc1NC(C(=O)NC1CCCCC1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-(2-cyanoanilino)-N-cyclohexyl-2-(3-nitrophenyl)acetamide?
The InChIKey is RDGUQNVLEVZIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c22-14-16-7-4-5-12-19(16)24-20(15-8-6-11-18(13-15)25(27)28)21(26)23-17-9-2-1-3-10-17/h4-8,11-13,17,20,24H,1-3,9-10H2,(H,23,26).
What are the key properties of 2-(2-cyanoanilino)-N-cyclohexyl-2-(3-nitrophenyl)acetamide?
2-(2-cyanoanilino)-N-cyclohexyl-2-(3-nitrophenyl)acetamide has a molecular weight of 378.43 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanoanilino)-N-cyclohexyl-2-(3-nitrophenyl)acetamide is sourced from PubChem (CID 102425503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).