4-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]adamantane-1-carboxylic acid

C24H31NO4 — CID 21099738

IUPAC4-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]adamantane-1-carboxylic acid
SMILESCOc1ccc(C2(C(=O)NC3C4CC5CC3CC(C(=O)O)(C5)C4)CCCC2)cc1
InChIInChI=1S/C24H31NO4/c1-29-19-6-4-18(5-7-19)24(8-2-3-9-24)21(26)25-20-16-10-15-11-17(20)14-23(12-15,13-16)22(27)28/h4-7,15-17,20H,2-3,8-14H2,1H3,(H,25,26)(H,27,28)
InChIKeyFASYJLAPVZKNHS-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.90
Rot. Bonds5

About 4-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]adamantane-1-carboxylic acid

4-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]adamantane-1-carboxylic acid (PubChem CID 21099738) has the molecular formula C24H31NO4 and a molecular weight of 397.52 g/mol. Its IUPAC name is 4-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]adamantane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]adamantane-1-carboxylic acid
PubChem CID21099738
Molecular FormulaC24H31NO4
Molecular Weight397.52 g/mol
Exact Mass397.23
IUPAC Name4-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]adamantane-1-carboxylic acid
SMILESCOc1ccc(C2(C(=O)NC3C4CC5CC3CC(C(=O)O)(C5)C4)CCCC2)cc1
InChIInChI=1S/C24H31NO4/c1-29-19-6-4-18(5-7-19)24(8-2-3-9-24)21(26)25-20-16-10-15-11-17(20)14-23(12-15,13-16)22(27)28/h4-7,15-17,20H,2-3,8-14H2,1H3,(H,25,26)(H,27,28)
InChIKeyFASYJLAPVZKNHS-UHFFFAOYSA-N
XLogP3.90
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,5S)-4-[[1-(4-methylphenyl)cyclopropanecarbonyl]amino]adamantane-1-carboxylic acid
CID 11537663
(3S,5R)-4-[(1-phenylcyclopropanecarbonyl)amino]adamantane-1-carboxamide
CID 11624224
4-[[2-[(4-methoxyphenyl)methoxy]-2-methylpropanethioyl]amino]adamantane-1-carboxylic acid
CID 87440752
N-[(1R,2S)-2-aminocyclobutyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 133128043
N-cyclopentyl-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 110485718
4-[[2-(3-methoxyphenoxy)-2-methylpropanoyl]amino]adamantane-1-carboxylic acid
CID 174792015
N-cycloheptyl-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 113198451
N-ethyl-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 110487274
3-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]-2-methylpropanoic acid
CID 119237635
4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]adamantane-1-carboxylic acid
CID 11545617
1-(4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 53016794
N-[(3-hydroxycyclobutyl)-phenylmethyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 91762982

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]adamantane-1-carboxylic acid?
The IUPAC name of 4-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]adamantane-1-carboxylic acid (CID 21099738) is 4-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]adamantane-1-carboxylic acid.
What is the SMILES notation for 4-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]adamantane-1-carboxylic acid?
The canonical SMILES for 4-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]adamantane-1-carboxylic acid is COc1ccc(C2(C(=O)NC3C4CC5CC3CC(C(=O)O)(C5)C4)CCCC2)cc1.
What is the InChIKey of 4-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]adamantane-1-carboxylic acid?
The InChIKey is FASYJLAPVZKNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO4/c1-29-19-6-4-18(5-7-19)24(8-2-3-9-24)21(26)25-20-16-10-15-11-17(20)14-23(12-15,13-16)22(27)28/h4-7,15-17,20H,2-3,8-14H2,1H3,(H,25,26)(H,27,28).
What are the key properties of 4-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]adamantane-1-carboxylic acid?
4-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]adamantane-1-carboxylic acid has a molecular weight of 397.52 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]adamantane-1-carboxylic acid is sourced from PubChem (CID 21099738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).