N-(2,5-dimethoxyphenyl)adamantane-1-carboxamide

C19H25NO3 — CID 532254

IUPACN-(2,5-dimethoxyphenyl)adamantane-1-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)C23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C19H25NO3/c1-22-15-3-4-17(23-2)16(8-15)20-18(21)19-9-12-5-13(10-19)7-14(6-12)11-19/h3-4,8,12-14H,5-7,9-11H2,1-2H3,(H,20,21)
InChIKeyXIILAZSITCVNCS-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.86
Rot. Bonds4

About N-(2,5-dimethoxyphenyl)adamantane-1-carboxamide

N-(2,5-dimethoxyphenyl)adamantane-1-carboxamide (PubChem CID 532254) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)adamantane-1-carboxamide
PubChem CID532254
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC NameN-(2,5-dimethoxyphenyl)adamantane-1-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)C23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C19H25NO3/c1-22-15-3-4-17(23-2)16(8-15)20-18(21)19-9-12-5-13(10-19)7-14(6-12)11-19/h3-4,8,12-14H,5-7,9-11H2,1-2H3,(H,20,21)
InChIKeyXIILAZSITCVNCS-UHFFFAOYSA-N
XLogP3.86
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(adamantane-1-carbonyl)hydrazinyl]-N-(2,5-dimethoxyphenyl)-2-oxoacetamide
CID 2869281
N-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)adamantane-1-carboxamide
CID 140896369
(5S,7R)-3-bromo-N-(2,4-dimethoxyphenyl)adamantane-1-carboxamide
CID 7698259
N-(4-amino-2-methoxyphenyl)adamantane-1-carboxamide
CID 5200465
N-[2-methoxy-5-(phenylcarbamoyl)phenyl]adamantane-1-carboxamide
CID 23875300
N-(4-anilino-2-methoxyphenyl)adamantane-1-carboxamide
CID 110179453
2-amino-N-(2,5-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 114997065
cis-(1S,2R)-2-[(2,5-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93320591
1-N,3-N-bis(3,4-dimethoxyphenyl)adamantane-1,3-dicarboxamide
CID 2964586
(2S)-N-(2,5-dimethoxyphenyl)-2-methyl-7-oxoazepane-2-carboxamide
CID 164633014
N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]adamantane-1-carboxamide
CID 122322856
1-amino-N-(2,4-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 65466971

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)adamantane-1-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)adamantane-1-carboxamide (CID 532254) is N-(2,5-dimethoxyphenyl)adamantane-1-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)adamantane-1-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)adamantane-1-carboxamide is COc1ccc(OC)c(NC(=O)C23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)adamantane-1-carboxamide?
The InChIKey is XIILAZSITCVNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-22-15-3-4-17(23-2)16(8-15)20-18(21)19-9-12-5-13(10-19)7-14(6-12)11-19/h3-4,8,12-14H,5-7,9-11H2,1-2H3,(H,20,21).
What are the key properties of N-(2,5-dimethoxyphenyl)adamantane-1-carboxamide?
N-(2,5-dimethoxyphenyl)adamantane-1-carboxamide has a molecular weight of 315.41 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)adamantane-1-carboxamide is sourced from PubChem (CID 532254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).