2-[[2-[4-(4-cyclohexylbutanoylamino)phenyl]acetyl]amino]acetic acid

C20H28N2O4 — CID 119224601

IUPAC2-[[2-[4-(4-cyclohexylbutanoylamino)phenyl]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)Cc1ccc(NC(=O)CCCC2CCCCC2)cc1
InChIInChI=1S/C20H28N2O4/c23-18(8-4-7-15-5-2-1-3-6-15)22-17-11-9-16(10-12-17)13-19(24)21-14-20(25)26/h9-12,15H,1-8,13-14H2,(H,21,24)(H,22,23)(H,25,26)
InChIKeySBIILQZWQVEPIP-UHFFFAOYSA-N
MW360.45 g/mol
LogP3.12
Rot. Bonds9

About 2-[[2-[4-(4-cyclohexylbutanoylamino)phenyl]acetyl]amino]acetic acid

2-[[2-[4-(4-cyclohexylbutanoylamino)phenyl]acetyl]amino]acetic acid (PubChem CID 119224601) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is 2-[[2-[4-(4-cyclohexylbutanoylamino)phenyl]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[4-(4-cyclohexylbutanoylamino)phenyl]acetyl]amino]acetic acid
PubChem CID119224601
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name2-[[2-[4-(4-cyclohexylbutanoylamino)phenyl]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)Cc1ccc(NC(=O)CCCC2CCCCC2)cc1
InChIInChI=1S/C20H28N2O4/c23-18(8-4-7-15-5-2-1-3-6-15)22-17-11-9-16(10-12-17)13-19(24)21-14-20(25)26/h9-12,15H,1-8,13-14H2,(H,21,24)(H,22,23)(H,25,26)
InChIKeySBIILQZWQVEPIP-UHFFFAOYSA-N
XLogP3.12
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(4-cyclopentylbutanoylamino)benzoyl]amino]acetic acid
CID 119220510
2-[[2-[4-[(2-cyclohexylacetyl)amino]phenyl]acetyl]amino]acetic acid
CID 119224346
4-(4-cyclohexylbutanoylamino)benzoic acid
CID 10803376
2-(4-cyclohexylbutanoylamino)acetic acid
CID 15704415
2-[[2-[4-(cyclohexanecarbonylamino)phenyl]acetyl]amino]acetic acid
CID 119224306
2-[[2-[4-(cyclooctanecarbonylamino)phenyl]acetyl]amino]acetic acid
CID 120523438
2-[[2-[4-[4-(cyclopropanecarbonylamino)butanoylamino]phenyl]acetyl]amino]acetic acid
CID 119224615
2-[[2-[4-[3-(oxolan-2-yl)propanoylamino]phenyl]acetyl]amino]acetic acid
CID 119224410
2-[[4-(3-cyclobutylpropanoylamino)benzoyl]amino]acetic acid
CID 120522605
2-[[2-[4-[(2-cyclopentyloxyacetyl)amino]phenyl]acetyl]amino]acetic acid
CID 119224317
2-(4-acetamidophenyl)-N-(3-cyclopentylpropyl)acetamide
CID 38857062
4-cyclopentyl-N-[4-(methanesulfonamidomethyl)phenyl]butanamide
CID 71994664

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(4-cyclohexylbutanoylamino)phenyl]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[4-(4-cyclohexylbutanoylamino)phenyl]acetyl]amino]acetic acid (CID 119224601) is 2-[[2-[4-(4-cyclohexylbutanoylamino)phenyl]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[4-(4-cyclohexylbutanoylamino)phenyl]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[4-(4-cyclohexylbutanoylamino)phenyl]acetyl]amino]acetic acid is O=C(O)CNC(=O)Cc1ccc(NC(=O)CCCC2CCCCC2)cc1.
What is the InChIKey of 2-[[2-[4-(4-cyclohexylbutanoylamino)phenyl]acetyl]amino]acetic acid?
The InChIKey is SBIILQZWQVEPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c23-18(8-4-7-15-5-2-1-3-6-15)22-17-11-9-16(10-12-17)13-19(24)21-14-20(25)26/h9-12,15H,1-8,13-14H2,(H,21,24)(H,22,23)(H,25,26).
What are the key properties of 2-[[2-[4-(4-cyclohexylbutanoylamino)phenyl]acetyl]amino]acetic acid?
2-[[2-[4-(4-cyclohexylbutanoylamino)phenyl]acetyl]amino]acetic acid has a molecular weight of 360.45 g/mol, XLogP of 3.12, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(4-cyclohexylbutanoylamino)phenyl]acetyl]amino]acetic acid is sourced from PubChem (CID 119224601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).