N-[4-[ethyl(phenyl)carbamoyl]phenyl]adamantane-1-carboxamide

C26H30N2O2 — CID 54787600

IUPACN-[4-[ethyl(phenyl)carbamoyl]phenyl]adamantane-1-carboxamide
SMILESCCN(C(=O)c1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1)c1ccccc1
InChIInChI=1S/C26H30N2O2/c1-2-28(23-6-4-3-5-7-23)24(29)21-8-10-22(11-9-21)27-25(30)26-15-18-12-19(16-26)14-20(13-18)17-26/h3-11,18-20H,2,12-17H2,1H3,(H,27,30)
InChIKeyKQWCUEJHVVWTKJ-UHFFFAOYSA-N
MW402.54 g/mol
LogP5.51
Rot. Bonds5

About N-[4-[ethyl(phenyl)carbamoyl]phenyl]adamantane-1-carboxamide

N-[4-[ethyl(phenyl)carbamoyl]phenyl]adamantane-1-carboxamide (PubChem CID 54787600) has the molecular formula C26H30N2O2 and a molecular weight of 402.54 g/mol. Its IUPAC name is N-[4-[ethyl(phenyl)carbamoyl]phenyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[ethyl(phenyl)carbamoyl]phenyl]adamantane-1-carboxamide
PubChem CID54787600
Molecular FormulaC26H30N2O2
Molecular Weight402.54 g/mol
Exact Mass402.23
IUPAC NameN-[4-[ethyl(phenyl)carbamoyl]phenyl]adamantane-1-carboxamide
SMILESCCN(C(=O)c1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1)c1ccccc1
InChIInChI=1S/C26H30N2O2/c1-2-28(23-6-4-3-5-7-23)24(29)21-8-10-22(11-9-21)27-25(30)26-15-18-12-19(16-26)14-20(13-18)17-26/h3-11,18-20H,2,12-17H2,1H3,(H,27,30)
InChIKeyKQWCUEJHVVWTKJ-UHFFFAOYSA-N
XLogP5.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.54
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[4-[ethyl(phenyl)carbamoyl]phenyl]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

4-N-ethyl-1-N,4-N-diphenylbenzene-1,4-dicarboxamide
CID 109049216
N-ethyl-4-[[2-(ethylamino)acetyl]amino]-N-phenylbenzamide
CID 54820940
4-[(2-cyanoacetyl)amino]-N-ethyl-N-phenylbenzamide
CID 168520814
4-[[(3S,6R)-tricyclo[4.3.1.13,8]undecane-1-carbonyl]amino]benzoic acid
CID 6990096
N-[4-[ethyl(phenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 2981018
N-ethyl-4-[[(3R)-oxolan-3-yl]carbamoylamino]-N-phenylbenzamide
CID 97272330
N-[4-[ethyl(phenyl)carbamoyl]phenyl]-2-methylbenzamide
CID 1243669
N-[4-(butanoylamino)phenyl]adamantane-1-carboxamide
CID 54787349
4-[[2-(butylamino)acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 54815388
4-[(2-anilino-2-oxoethyl)sulfonylmethyl]-N-ethyl-N-phenylbenzamide
CID 39080358
4-[[2-[bis(prop-2-enyl)amino]acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 54817927
N-(4-formylphenyl)adamantane-1-carboxamide
CID 106912217

Frequently Asked Questions

What is the IUPAC name of N-[4-[ethyl(phenyl)carbamoyl]phenyl]adamantane-1-carboxamide?
The IUPAC name of N-[4-[ethyl(phenyl)carbamoyl]phenyl]adamantane-1-carboxamide (CID 54787600) is N-[4-[ethyl(phenyl)carbamoyl]phenyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[4-[ethyl(phenyl)carbamoyl]phenyl]adamantane-1-carboxamide?
The canonical SMILES for N-[4-[ethyl(phenyl)carbamoyl]phenyl]adamantane-1-carboxamide is CCN(C(=O)c1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1)c1ccccc1.
What is the InChIKey of N-[4-[ethyl(phenyl)carbamoyl]phenyl]adamantane-1-carboxamide?
The InChIKey is KQWCUEJHVVWTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O2/c1-2-28(23-6-4-3-5-7-23)24(29)21-8-10-22(11-9-21)27-25(30)26-15-18-12-19(16-26)14-20(13-18)17-26/h3-11,18-20H,2,12-17H2,1H3,(H,27,30).
What are the key properties of N-[4-[ethyl(phenyl)carbamoyl]phenyl]adamantane-1-carboxamide?
N-[4-[ethyl(phenyl)carbamoyl]phenyl]adamantane-1-carboxamide has a molecular weight of 402.54 g/mol, XLogP of 5.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[ethyl(phenyl)carbamoyl]phenyl]adamantane-1-carboxamide is sourced from PubChem (CID 54787600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).