N-(3-cyanophenyl)adamantane-1-carboxamide

C18H20N2O — CID 7788359

IUPACN-(3-cyanophenyl)adamantane-1-carboxamide
SMILESN#Cc1cccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C18H20N2O/c19-11-12-2-1-3-16(7-12)20-17(21)18-8-13-4-14(9-18)6-15(5-13)10-18/h1-3,7,13-15H,4-6,8-10H2,(H,20,21)
InChIKeyOVCVTRIKKQQNGX-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.71
Rot. Bonds2

About N-(3-cyanophenyl)adamantane-1-carboxamide

N-(3-cyanophenyl)adamantane-1-carboxamide (PubChem CID 7788359) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is N-(3-cyanophenyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)adamantane-1-carboxamide
PubChem CID7788359
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC NameN-(3-cyanophenyl)adamantane-1-carboxamide
SMILESN#Cc1cccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C18H20N2O/c19-11-12-2-1-3-16(7-12)20-17(21)18-8-13-4-14(9-18)6-15(5-13)10-18/h1-3,7,13-15H,4-6,8-10H2,(H,20,21)
InChIKeyOVCVTRIKKQQNGX-UHFFFAOYSA-N
XLogP3.71
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3-cyanophenyl)adamantane-1-carboxamide 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

N-(3-hydroxyphenyl)adamantane-1-carboxamide
CID 4623893
(2R)-2-(1-adamantylamino)-N-(3-cyanophenyl)propanamide
CID 9358498
[(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 2-(adamantane-1-carbonylamino)acetate
CID 7190702
[(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 2-(adamantane-1-carbonylamino)acetate
CID 7190700
N-[3-(1-adamantylmethyl)phenyl]adamantane-1-carboxamide
CID 171577019
N-(3-isocyanatophenyl)adamantane-1-carboxamide
CID 169353747
1-amino-N-(3-cyanophenyl)cyclobutane-1-carboxamide
CID 81179740
1-(3-cyanophenyl)-3-[3-[(3-cyanophenyl)carbamoylamino]phenyl]urea
CID 11101346
N-(3-cyanophenyl)-2-cyclopropylacetamide
CID 56828279
1-N'-(3-cyanophenyl)-1-N-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108983653
1-N-(3-bromophenyl)-1-N'-(3-cyanophenyl)cyclopropane-1,1-dicarboxamide
CID 108983671
N-[3-(propan-2-ylcarbamoyl)phenyl]adamantane-1-carboxamide
CID 35109336

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)adamantane-1-carboxamide?
The IUPAC name of N-(3-cyanophenyl)adamantane-1-carboxamide (CID 7788359) is N-(3-cyanophenyl)adamantane-1-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)adamantane-1-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)adamantane-1-carboxamide is N#Cc1cccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of N-(3-cyanophenyl)adamantane-1-carboxamide?
The InChIKey is OVCVTRIKKQQNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c19-11-12-2-1-3-16(7-12)20-17(21)18-8-13-4-14(9-18)6-15(5-13)10-18/h1-3,7,13-15H,4-6,8-10H2,(H,20,21).
What are the key properties of N-(3-cyanophenyl)adamantane-1-carboxamide?
N-(3-cyanophenyl)adamantane-1-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)adamantane-1-carboxamide is sourced from PubChem (CID 7788359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).