N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]adamantane-1-carboxamide

C26H30N2O3 — CID 54787396

IUPACN-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]adamantane-1-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccccc2NC(=O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C26H30N2O3/c1-2-31-21-9-7-20(8-10-21)27-24(29)22-5-3-4-6-23(22)28-25(30)26-14-17-11-18(15-26)13-19(12-17)16-26/h3-10,17-19H,2,11-16H2,1H3,(H,27,29)(H,28,30)
InChIKeyBXVBCNBIEPWYOE-UHFFFAOYSA-N
MW418.54 g/mol
LogP5.49
Rot. Bonds6

About N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]adamantane-1-carboxamide

N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]adamantane-1-carboxamide (PubChem CID 54787396) has the molecular formula C26H30N2O3 and a molecular weight of 418.54 g/mol. Its IUPAC name is N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]adamantane-1-carboxamide
PubChem CID54787396
Molecular FormulaC26H30N2O3
Molecular Weight418.54 g/mol
Exact Mass418.23
IUPAC NameN-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]adamantane-1-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccccc2NC(=O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C26H30N2O3/c1-2-31-21-9-7-20(8-10-21)27-24(29)22-5-3-4-6-23(22)28-25(30)26-14-17-11-18(15-26)13-19(12-17)16-26/h3-10,17-19H,2,11-16H2,1H3,(H,27,29)(H,28,30)
InChIKeyBXVBCNBIEPWYOE-UHFFFAOYSA-N
XLogP5.49
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.54
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-[(4-ethoxyphenyl)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

N-[2-[(4-fluorophenyl)carbamoyl]phenyl]adamantane-1-carboxamide
CID 4919442
N-(4-ethoxyphenyl)tricyclo[4.3.1.13,8]undecane-1-carboxamide
CID 4231601
N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]-2-methylbenzamide
CID 4941456
3-bromo-N-[2-[(4-ethylphenyl)carbamoyl]phenyl]adamantane-1-carboxamide
CID 5294904
2-[[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 8712443
N-(4-ethoxyphenyl)-2-[(2-pyrrolidin-1-ylacetyl)amino]benzamide
CID 2552865
(3R,5R)-N-(4-ethoxyphenyl)-3,5-dimethyladamantane-1-carboxamide
CID 6595849
N-(4-ethoxyphenyl)-2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]benzamide
CID 17227107
N-(4-ethoxyphenyl)-2-[[2-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 4954400
N-(4-ethoxyphenyl)-2-methylbenzamide
CID 710558
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]adamantane-1-carboxamide
CID 32937893
N-[2-[(6-methyl-2-pyridinyl)carbamoyl]phenyl]adamantane-1-carboxamide
CID 17233954

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]adamantane-1-carboxamide (CID 54787396) is N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]adamantane-1-carboxamide is CCOc1ccc(NC(=O)c2ccccc2NC(=O)C23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]adamantane-1-carboxamide?
The InChIKey is BXVBCNBIEPWYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3/c1-2-31-21-9-7-20(8-10-21)27-24(29)22-5-3-4-6-23(22)28-25(30)26-14-17-11-18(15-26)13-19(12-17)16-26/h3-10,17-19H,2,11-16H2,1H3,(H,27,29)(H,28,30).
What are the key properties of N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]adamantane-1-carboxamide?
N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]adamantane-1-carboxamide has a molecular weight of 418.54 g/mol, XLogP of 5.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]adamantane-1-carboxamide is sourced from PubChem (CID 54787396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).