N-(4-methoxyphenyl)-3-(4-methylphenyl)adamantane-1-carboxamide

C25H29NO2 — CID 2835994

IUPACN-(4-methoxyphenyl)-3-(4-methylphenyl)adamantane-1-carboxamide
SMILESCOc1ccc(NC(=O)C23CC4CC(C2)CC(c2ccc(C)cc2)(C4)C3)cc1
InChIInChI=1S/C25H29NO2/c1-17-3-5-20(6-4-17)24-12-18-11-19(13-24)15-25(14-18,16-24)23(27)26-21-7-9-22(28-2)10-8-21/h3-10,18-19H,11-16H2,1-2H3,(H,26,27)
InChIKeyKFVULQMXFMTEBH-UHFFFAOYSA-N
MW375.51 g/mol
LogP5.48
Rot. Bonds4

About N-(4-methoxyphenyl)-3-(4-methylphenyl)adamantane-1-carboxamide

N-(4-methoxyphenyl)-3-(4-methylphenyl)adamantane-1-carboxamide (PubChem CID 2835994) has the molecular formula C25H29NO2 and a molecular weight of 375.51 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3-(4-methylphenyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3-(4-methylphenyl)adamantane-1-carboxamide
PubChem CID2835994
Molecular FormulaC25H29NO2
Molecular Weight375.51 g/mol
Exact Mass375.22
IUPAC NameN-(4-methoxyphenyl)-3-(4-methylphenyl)adamantane-1-carboxamide
SMILESCOc1ccc(NC(=O)C23CC4CC(C2)CC(c2ccc(C)cc2)(C4)C3)cc1
InChIInChI=1S/C25H29NO2/c1-17-3-5-20(6-4-17)24-12-18-11-19(13-24)15-25(14-18,16-24)23(27)26-21-7-9-22(28-2)10-8-21/h3-10,18-19H,11-16H2,1-2H3,(H,26,27)
InChIKeyKFVULQMXFMTEBH-UHFFFAOYSA-N
XLogP5.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.51
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[[2-[4-[[3-(4-methylphenyl)adamantane-1-carbonyl]amino]phenyl]acetyl]amino]acetate
CID 55781665
N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)adamantane-1-carboxamide
CID 4829318
N-(3,5-dichlorophenyl)-3-(4-methylphenyl)adamantane-1-carboxamide
CID 4020937
(5R,7R)-3-(4-methoxyphenyl)-N-propan-2-yladamantane-1-carboxamide
CID 98138085
(5S,7R)-3-(4-methylphenyl)-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]adamantane-1-carboxamide
CID 27787859
2-[[3-(4-methoxyphenyl)adamantane-1-carbonyl]amino]benzoic acid
CID 23735496
(5S,7S)-3-(4-methoxyphenyl)adamantane-1-carboxylic acid
CID 98044309
methyl 3-(4-methylphenyl)adamantane-1-carboxylate
CID 3985939
methyl (5R,7R)-3-(4-methylphenyl)adamantane-1-carboxylate
CID 98116671
(5R,7R)-N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)adamantane-1-carboxamide
CID 98234045
N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)adamantane-1-carboxamide
CID 3875326
(5S,7S)-3-(4-methoxyphenyl)adamantane-1-carboxamide
CID 98079985

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3-(4-methylphenyl)adamantane-1-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-3-(4-methylphenyl)adamantane-1-carboxamide (CID 2835994) is N-(4-methoxyphenyl)-3-(4-methylphenyl)adamantane-1-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-3-(4-methylphenyl)adamantane-1-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-3-(4-methylphenyl)adamantane-1-carboxamide is COc1ccc(NC(=O)C23CC4CC(C2)CC(c2ccc(C)cc2)(C4)C3)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-3-(4-methylphenyl)adamantane-1-carboxamide?
The InChIKey is KFVULQMXFMTEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO2/c1-17-3-5-20(6-4-17)24-12-18-11-19(13-24)15-25(14-18,16-24)23(27)26-21-7-9-22(28-2)10-8-21/h3-10,18-19H,11-16H2,1-2H3,(H,26,27).
What are the key properties of N-(4-methoxyphenyl)-3-(4-methylphenyl)adamantane-1-carboxamide?
N-(4-methoxyphenyl)-3-(4-methylphenyl)adamantane-1-carboxamide has a molecular weight of 375.51 g/mol, XLogP of 5.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-3-(4-methylphenyl)adamantane-1-carboxamide is sourced from PubChem (CID 2835994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).