N-[2-methoxy-5-(phenylcarbamoyl)phenyl]adamantane-1-carboxamide

C25H28N2O3 — CID 23875300

IUPACN-[2-methoxy-5-(phenylcarbamoyl)phenyl]adamantane-1-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C25H28N2O3/c1-30-22-8-7-19(23(28)26-20-5-3-2-4-6-20)12-21(22)27-24(29)25-13-16-9-17(14-25)11-18(10-16)15-25/h2-8,12,16-18H,9-11,13-15H2,1H3,(H,26,28)(H,27,29)
InChIKeyBTGJDRPNFSLOLL-UHFFFAOYSA-N
MW404.51 g/mol
LogP5.10
Rot. Bonds5

About N-[2-methoxy-5-(phenylcarbamoyl)phenyl]adamantane-1-carboxamide

N-[2-methoxy-5-(phenylcarbamoyl)phenyl]adamantane-1-carboxamide (PubChem CID 23875300) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-[2-methoxy-5-(phenylcarbamoyl)phenyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-5-(phenylcarbamoyl)phenyl]adamantane-1-carboxamide
PubChem CID23875300
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC NameN-[2-methoxy-5-(phenylcarbamoyl)phenyl]adamantane-1-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C25H28N2O3/c1-30-22-8-7-19(23(28)26-20-5-3-2-4-6-20)12-21(22)27-24(29)25-13-16-9-17(14-25)11-18(10-16)15-25/h2-8,12,16-18H,9-11,13-15H2,1H3,(H,26,28)(H,27,29)
InChIKeyBTGJDRPNFSLOLL-UHFFFAOYSA-N
XLogP5.10
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.51
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethoxyphenyl)adamantane-1-carboxamide
CID 532254
N-(4-anilino-2-methoxyphenyl)adamantane-1-carboxamide
CID 110179453
3-(cyclopentanecarbonylamino)-4-methoxy-N-phenylbenzamide
CID 70686592
3-[(2-hydroxy-2-phenylacetyl)amino]-4-methoxy-N-phenylbenzamide
CID 18626235
N-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)adamantane-1-carboxamide
CID 140896369
N-(4-amino-2-methoxyphenyl)adamantane-1-carboxamide
CID 5200465
3-anilino-N-(4-fluorophenyl)-4-methoxybenzamide
CID 18626285
N-[3-[(4-fluorophenyl)carbamoyl]phenyl]adamantane-1-carboxamide
CID 54787575
3-[[2-methoxy-5-(phenylcarbamoyl)phenyl]carbamothioylamino]benzoic acid
CID 54445185
3-[(3-acetylphenyl)carbamothioylamino]-4-methoxy-N-phenylbenzamide
CID 54111046
[4-[[2-methoxy-5-(phenylcarbamoyl)anilino]methyl]phenyl] acetate
CID 54035597
3-(2,2-dicyanoethenylamino)-4-methoxy-N-phenylbenzamide
CID 168541185

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-(phenylcarbamoyl)phenyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-methoxy-5-(phenylcarbamoyl)phenyl]adamantane-1-carboxamide (CID 23875300) is N-[2-methoxy-5-(phenylcarbamoyl)phenyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-methoxy-5-(phenylcarbamoyl)phenyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-methoxy-5-(phenylcarbamoyl)phenyl]adamantane-1-carboxamide is COc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[2-methoxy-5-(phenylcarbamoyl)phenyl]adamantane-1-carboxamide?
The InChIKey is BTGJDRPNFSLOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3/c1-30-22-8-7-19(23(28)26-20-5-3-2-4-6-20)12-21(22)27-24(29)25-13-16-9-17(14-25)11-18(10-16)15-25/h2-8,12,16-18H,9-11,13-15H2,1H3,(H,26,28)(H,27,29).
What are the key properties of N-[2-methoxy-5-(phenylcarbamoyl)phenyl]adamantane-1-carboxamide?
N-[2-methoxy-5-(phenylcarbamoyl)phenyl]adamantane-1-carboxamide has a molecular weight of 404.51 g/mol, XLogP of 5.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-(phenylcarbamoyl)phenyl]adamantane-1-carboxamide is sourced from PubChem (CID 23875300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).