N-[2-[(2-cyanoacetyl)amino]phenyl]-3-cyclohexylpropanamide

C18H23N3O2 — CID 108922941

IUPACN-[2-[(2-cyanoacetyl)amino]phenyl]-3-cyclohexylpropanamide
SMILESN#CCC(=O)Nc1ccccc1NC(=O)CCC1CCCCC1
InChIInChI=1S/C18H23N3O2/c19-13-12-18(23)21-16-9-5-4-8-15(16)20-17(22)11-10-14-6-2-1-3-7-14/h4-5,8-9,14H,1-3,6-7,10-12H2,(H,20,22)(H,21,23)
InChIKeyRIKJKMUNHOXUER-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.84
Rot. Bonds6

About N-[2-[(2-cyanoacetyl)amino]phenyl]-3-cyclohexylpropanamide

N-[2-[(2-cyanoacetyl)amino]phenyl]-3-cyclohexylpropanamide (PubChem CID 108922941) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[2-[(2-cyanoacetyl)amino]phenyl]-3-cyclohexylpropanamide.

Molecular Properties

Compound NameN-[2-[(2-cyanoacetyl)amino]phenyl]-3-cyclohexylpropanamide
PubChem CID108922941
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-[2-[(2-cyanoacetyl)amino]phenyl]-3-cyclohexylpropanamide
SMILESN#CCC(=O)Nc1ccccc1NC(=O)CCC1CCCCC1
InChIInChI=1S/C18H23N3O2/c19-13-12-18(23)21-16-9-5-4-8-15(16)20-17(22)11-10-14-6-2-1-3-7-14/h4-5,8-9,14H,1-3,6-7,10-12H2,(H,20,22)(H,21,23)
InChIKeyRIKJKMUNHOXUER-UHFFFAOYSA-N
XLogP3.84
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-[(2-cyanoacetyl)amino]phenyl]-3-cyclohexylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyano-N-[2-[(2-cyclopentylacetyl)amino]phenyl]acetamide
CID 108923007
N-(2-acetamidophenyl)-3-cyclopentylpropanamide
CID 976246
3-cyclohexyl-N-[5-(3-cyclohexylpropanoylamino)naphthalen-1-yl]propanamide
CID 27126992
3-cyclopentyl-N-(2-fluorophenyl)propanamide
CID 917347
3-cyclopentyl-N-[2-(hydroxymethyl)phenyl]propanamide
CID 60653813
3-cyclopentyl-N-(2-methylsulfanylphenyl)propanamide
CID 112789217
3-cyclopentyl-N-[2-(methylaminomethyl)phenyl]propanamide;hydrochloride
CID 119259979
3,4-bis(3-cyclohexylpropanoylamino)benzoate
CID 7309256
3-cyclohexyl-N-[4-[4-(3-cyclohexylpropanoylamino)-9,10-dioxoanthracen-1-yl]-9,10-dioxoanthracen-1-yl]propanamide
CID 70882663
3-cyclopentyl-N-[2-(3-hydroxyprop-1-ynyl)phenyl]propanamide
CID 60803095
3-[2-(3-cyclopentylpropanoylamino)phenyl]propanoic acid
CID 107272399
N-(2-cyanophenyl)-3-(1-methylpiperidin-4-yl)propanamide
CID 110864681

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-cyanoacetyl)amino]phenyl]-3-cyclohexylpropanamide?
The IUPAC name of N-[2-[(2-cyanoacetyl)amino]phenyl]-3-cyclohexylpropanamide (CID 108922941) is N-[2-[(2-cyanoacetyl)amino]phenyl]-3-cyclohexylpropanamide.
What is the SMILES notation for N-[2-[(2-cyanoacetyl)amino]phenyl]-3-cyclohexylpropanamide?
The canonical SMILES for N-[2-[(2-cyanoacetyl)amino]phenyl]-3-cyclohexylpropanamide is N#CCC(=O)Nc1ccccc1NC(=O)CCC1CCCCC1.
What is the InChIKey of N-[2-[(2-cyanoacetyl)amino]phenyl]-3-cyclohexylpropanamide?
The InChIKey is RIKJKMUNHOXUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c19-13-12-18(23)21-16-9-5-4-8-15(16)20-17(22)11-10-14-6-2-1-3-7-14/h4-5,8-9,14H,1-3,6-7,10-12H2,(H,20,22)(H,21,23).
What are the key properties of N-[2-[(2-cyanoacetyl)amino]phenyl]-3-cyclohexylpropanamide?
N-[2-[(2-cyanoacetyl)amino]phenyl]-3-cyclohexylpropanamide has a molecular weight of 313.40 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-cyanoacetyl)amino]phenyl]-3-cyclohexylpropanamide is sourced from PubChem (CID 108922941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).