N-(4-anilino-2-methoxyphenyl)adamantane-1-carboxamide

C24H28N2O2 — CID 110179453

IUPACN-(4-anilino-2-methoxyphenyl)adamantane-1-carboxamide
SMILESCOc1cc(Nc2ccccc2)ccc1NC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H28N2O2/c1-28-22-12-20(25-19-5-3-2-4-6-19)7-8-21(22)26-23(27)24-13-16-9-17(14-24)11-18(10-16)15-24/h2-8,12,16-18,25H,9-11,13-15H2,1H3,(H,26,27)
InChIKeyVPTQIBCUTJEPDF-UHFFFAOYSA-N
MW376.50 g/mol
LogP5.59
Rot. Bonds5

About N-(4-anilino-2-methoxyphenyl)adamantane-1-carboxamide

N-(4-anilino-2-methoxyphenyl)adamantane-1-carboxamide (PubChem CID 110179453) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is N-(4-anilino-2-methoxyphenyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(4-anilino-2-methoxyphenyl)adamantane-1-carboxamide
PubChem CID110179453
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC NameN-(4-anilino-2-methoxyphenyl)adamantane-1-carboxamide
SMILESCOc1cc(Nc2ccccc2)ccc1NC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H28N2O2/c1-28-22-12-20(25-19-5-3-2-4-6-19)7-8-21(22)26-23(27)24-13-16-9-17(14-24)11-18(10-16)15-24/h2-8,12,16-18,25H,9-11,13-15H2,1H3,(H,26,27)
InChIKeyVPTQIBCUTJEPDF-UHFFFAOYSA-N
XLogP5.59
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-amino-2-methoxyphenyl)adamantane-1-carboxamide
CID 5200465
N-[2-methoxy-5-(phenylcarbamoyl)phenyl]adamantane-1-carboxamide
CID 23875300
1-(4-anilino-2-methoxyphenyl)-3-phenylurea
CID 110179401
1-(4-anilino-2-methoxyphenyl)-3-methylurea
CID 110178450
N-(2,5-dimethoxyphenyl)adamantane-1-carboxamide
CID 532254
N-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)adamantane-1-carboxamide
CID 140896369
1-N,3-N-bis(3,4-dimethoxyphenyl)adamantane-1,3-dicarboxamide
CID 2964586
(5S,7R)-3-bromo-N-(2-methoxyphenyl)adamantane-1-carboxamide
CID 7732999
N-(3-hydroxy-4,5-dimethoxyphenyl)adamantane-1-carboxamide
CID 4018470
N-(2-phenylmethoxyphenyl)adamantane-1-carboxamide
CID 10784818
(5S,7R)-3-bromo-N-(2,4-dimethoxyphenyl)adamantane-1-carboxamide
CID 7698259
1-N-iodo-2-methoxy-4-N-phenylbenzene-1,4-diamine
CID 154558823

Frequently Asked Questions

What is the IUPAC name of N-(4-anilino-2-methoxyphenyl)adamantane-1-carboxamide?
The IUPAC name of N-(4-anilino-2-methoxyphenyl)adamantane-1-carboxamide (CID 110179453) is N-(4-anilino-2-methoxyphenyl)adamantane-1-carboxamide.
What is the SMILES notation for N-(4-anilino-2-methoxyphenyl)adamantane-1-carboxamide?
The canonical SMILES for N-(4-anilino-2-methoxyphenyl)adamantane-1-carboxamide is COc1cc(Nc2ccccc2)ccc1NC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(4-anilino-2-methoxyphenyl)adamantane-1-carboxamide?
The InChIKey is VPTQIBCUTJEPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-28-22-12-20(25-19-5-3-2-4-6-19)7-8-21(22)26-23(27)24-13-16-9-17(14-24)11-18(10-16)15-24/h2-8,12,16-18,25H,9-11,13-15H2,1H3,(H,26,27).
What are the key properties of N-(4-anilino-2-methoxyphenyl)adamantane-1-carboxamide?
N-(4-anilino-2-methoxyphenyl)adamantane-1-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 5.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilino-2-methoxyphenyl)adamantane-1-carboxamide is sourced from PubChem (CID 110179453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).