N-[3-(ethylcarbamoyl)phenyl]-3-phenyladamantane-1-carboxamide

C26H30N2O2 — CID 52990873

IUPACN-[3-(ethylcarbamoyl)phenyl]-3-phenyladamantane-1-carboxamide
SMILESCCNC(=O)c1cccc(NC(=O)C23CC4CC(C2)CC(c2ccccc2)(C4)C3)c1
InChIInChI=1S/C26H30N2O2/c1-2-27-23(29)20-7-6-10-22(12-20)28-24(30)26-15-18-11-19(16-26)14-25(13-18,17-26)21-8-4-3-5-9-21/h3-10,12,18-19H,2,11,13-17H2,1H3,(H,27,29)(H,28,30)
InChIKeyCCOPXHORZPOUEL-UHFFFAOYSA-N
MW402.54 g/mol
LogP4.91
Rot. Bonds5

About N-[3-(ethylcarbamoyl)phenyl]-3-phenyladamantane-1-carboxamide

N-[3-(ethylcarbamoyl)phenyl]-3-phenyladamantane-1-carboxamide (PubChem CID 52990873) has the molecular formula C26H30N2O2 and a molecular weight of 402.54 g/mol. Its IUPAC name is N-[3-(ethylcarbamoyl)phenyl]-3-phenyladamantane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(ethylcarbamoyl)phenyl]-3-phenyladamantane-1-carboxamide
PubChem CID52990873
Molecular FormulaC26H30N2O2
Molecular Weight402.54 g/mol
Exact Mass402.23
IUPAC NameN-[3-(ethylcarbamoyl)phenyl]-3-phenyladamantane-1-carboxamide
SMILESCCNC(=O)c1cccc(NC(=O)C23CC4CC(C2)CC(c2ccccc2)(C4)C3)c1
InChIInChI=1S/C26H30N2O2/c1-2-27-23(29)20-7-6-10-22(12-20)28-24(30)26-15-18-11-19(16-26)14-25(13-18,17-26)21-8-4-3-5-9-21/h3-10,12,18-19H,2,11,13-17H2,1H3,(H,27,29)(H,28,30)
InChIKeyCCOPXHORZPOUEL-UHFFFAOYSA-N
XLogP4.91
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[3-(ethylcarbamoyl)phenyl]-3-phenyladamantane-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-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-3-bromoadamantane-1-carboxamide
CID 55679115
3-bromo-N-[3-(methylcarbamoyl)phenyl]adamantane-1-carboxamide
CID 16550312
(5S,7R)-N-[3-(diethylsulfamoyl)phenyl]-3-(4-methylphenyl)adamantane-1-carboxamide
CID 26857417
(5S,7S)-3-phenyladamantane-1-carboxylic acid
CID 98062703
3-(4-methylphenyl)-N-(3-methylsulfonylphenyl)adamantane-1-carboxamide
CID 55416136
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 34328308
(5S,7S)-3-phenyl-N-(4-sulfamoylphenyl)adamantane-1-carboxamide
CID 98586974
(5R,7R)-3-phenyl-N-prop-2-enyladamantane-1-carboxamide
CID 98185678
3-(4-methylphenyl)-N-(3-nitrophenyl)adamantane-1-carboxamide
CID 5022595
N-[3-(1-phenylethylcarbamoyl)phenyl]adamantane-1-carboxamide
CID 54787602
N-[3-(carbamoylamino)phenyl]-3-(3,4-dimethylphenyl)adamantane-1-carboxamide
CID 146088249
N-[3-(propan-2-ylcarbamoyl)phenyl]adamantane-1-carboxamide
CID 35109336

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylcarbamoyl)phenyl]-3-phenyladamantane-1-carboxamide?
The IUPAC name of N-[3-(ethylcarbamoyl)phenyl]-3-phenyladamantane-1-carboxamide (CID 52990873) is N-[3-(ethylcarbamoyl)phenyl]-3-phenyladamantane-1-carboxamide.
What is the SMILES notation for N-[3-(ethylcarbamoyl)phenyl]-3-phenyladamantane-1-carboxamide?
The canonical SMILES for N-[3-(ethylcarbamoyl)phenyl]-3-phenyladamantane-1-carboxamide is CCNC(=O)c1cccc(NC(=O)C23CC4CC(C2)CC(c2ccccc2)(C4)C3)c1.
What is the InChIKey of N-[3-(ethylcarbamoyl)phenyl]-3-phenyladamantane-1-carboxamide?
The InChIKey is CCOPXHORZPOUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O2/c1-2-27-23(29)20-7-6-10-22(12-20)28-24(30)26-15-18-11-19(16-26)14-25(13-18,17-26)21-8-4-3-5-9-21/h3-10,12,18-19H,2,11,13-17H2,1H3,(H,27,29)(H,28,30).
What are the key properties of N-[3-(ethylcarbamoyl)phenyl]-3-phenyladamantane-1-carboxamide?
N-[3-(ethylcarbamoyl)phenyl]-3-phenyladamantane-1-carboxamide has a molecular weight of 402.54 g/mol, XLogP of 4.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylcarbamoyl)phenyl]-3-phenyladamantane-1-carboxamide is sourced from PubChem (CID 52990873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).