4-[3-(3-cyclopentyloxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid

C21H29NO4 — CID 119229659

IUPAC4-[3-(3-cyclopentyloxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid
SMILESO=C(CCc1cccc(OC2CCCC2)c1)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C21H29NO4/c23-20(22-17-11-9-16(10-12-17)21(24)25)13-8-15-4-3-7-19(14-15)26-18-5-1-2-6-18/h3-4,7,14,16-18H,1-2,5-6,8-13H2,(H,22,23)(H,24,25)
InChIKeyBQKUOJDVLBVSOF-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.70
Rot. Bonds7

About 4-[3-(3-cyclopentyloxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid

4-[3-(3-cyclopentyloxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid (PubChem CID 119229659) has the molecular formula C21H29NO4 and a molecular weight of 359.47 g/mol. Its IUPAC name is 4-[3-(3-cyclopentyloxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[3-(3-cyclopentyloxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid
PubChem CID119229659
Molecular FormulaC21H29NO4
Molecular Weight359.47 g/mol
Exact Mass359.21
IUPAC Name4-[3-(3-cyclopentyloxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid
SMILESO=C(CCc1cccc(OC2CCCC2)c1)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C21H29NO4/c23-20(22-17-11-9-16(10-12-17)21(24)25)13-8-15-4-3-7-19(14-15)26-18-5-1-2-6-18/h3-4,7,14,16-18H,1-2,5-6,8-13H2,(H,22,23)(H,24,25)
InChIKeyBQKUOJDVLBVSOF-UHFFFAOYSA-N
XLogP3.70
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(3-methoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 119229032
4-(3-cyclopentyloxyanilino)cyclohexane-1-carboxylic acid
CID 122029500
3-(3-cyclopentyloxyphenyl)-N-(2-methylpiperidin-3-yl)propanamide
CID 120577034
1-cyclopropyl-3-(3-cyclopropyloxyphenyl)propan-1-one
CID 114522899
3-(3-cyclopentyloxyphenyl)-N-[2-(ethylamino)ethyl]propanamide
CID 119508902
4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 119229628
N-(2-amino-2-ethylbutyl)-3-(3-cyclopentyloxyphenyl)propanamide
CID 119643365
N-[1-[(3-cyclopentyloxyphenyl)methyl]piperidin-4-yl]cyclopropanecarboxamide
CID 154793860
N-[1-(4-cyclopentyloxybenzoyl)piperidin-4-yl]-3-phenylpropanamide
CID 55692214
2-[3-(3-cyclopentyloxyphenyl)propanoylamino]-N,3-dimethylbutanamide
CID 75386019
2-[3-(3-cyclopentyloxyphenyl)propanoylamino]-2-(3,4-dimethylphenyl)acetic acid
CID 166378121
3-(3-methoxyphenyl)-N-piperidin-4-ylpropanamide
CID 119389634

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-cyclopentyloxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[3-(3-cyclopentyloxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid (CID 119229659) is 4-[3-(3-cyclopentyloxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[3-(3-cyclopentyloxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[3-(3-cyclopentyloxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid is O=C(CCc1cccc(OC2CCCC2)c1)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[3-(3-cyclopentyloxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is BQKUOJDVLBVSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO4/c23-20(22-17-11-9-16(10-12-17)21(24)25)13-8-15-4-3-7-19(14-15)26-18-5-1-2-6-18/h3-4,7,14,16-18H,1-2,5-6,8-13H2,(H,22,23)(H,24,25).
What are the key properties of 4-[3-(3-cyclopentyloxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid?
4-[3-(3-cyclopentyloxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 359.47 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-cyclopentyloxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 119229659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).