5-phenyl-4-[[4-(propan-2-yloxymethyl)benzoyl]amino]pentanoic acid

C22H27NO4 — CID 120547120

IUPAC5-phenyl-4-[[4-(propan-2-yloxymethyl)benzoyl]amino]pentanoic acid
SMILESCC(C)OCc1ccc(C(=O)NC(CCC(=O)O)Cc2ccccc2)cc1
InChIInChI=1S/C22H27NO4/c1-16(2)27-15-18-8-10-19(11-9-18)22(26)23-20(12-13-21(24)25)14-17-6-4-3-5-7-17/h3-11,16,20H,12-15H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyFJSKOTUTRCGUHN-UHFFFAOYSA-N
MW369.46 g/mol
LogP3.82
Rot. Bonds10

About 5-phenyl-4-[[4-(propan-2-yloxymethyl)benzoyl]amino]pentanoic acid

5-phenyl-4-[[4-(propan-2-yloxymethyl)benzoyl]amino]pentanoic acid (PubChem CID 120547120) has the molecular formula C22H27NO4 and a molecular weight of 369.46 g/mol. Its IUPAC name is 5-phenyl-4-[[4-(propan-2-yloxymethyl)benzoyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-phenyl-4-[[4-(propan-2-yloxymethyl)benzoyl]amino]pentanoic acid
PubChem CID120547120
Molecular FormulaC22H27NO4
Molecular Weight369.46 g/mol
Exact Mass369.19
IUPAC Name5-phenyl-4-[[4-(propan-2-yloxymethyl)benzoyl]amino]pentanoic acid
SMILESCC(C)OCc1ccc(C(=O)NC(CCC(=O)O)Cc2ccccc2)cc1
InChIInChI=1S/C22H27NO4/c1-16(2)27-15-18-8-10-19(11-9-18)22(26)23-20(12-13-21(24)25)14-17-6-4-3-5-7-17/h3-11,16,20H,12-15H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyFJSKOTUTRCGUHN-UHFFFAOYSA-N
XLogP3.82
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-acetylbenzoyl)amino]-5-phenylpentanoic acid
CID 120546799
5-phenyl-4-[[4-(3,3,3-trifluoropropyl)benzoyl]amino]pentanoic acid
CID 120547242
N-(1-hydroxypentan-3-yl)-4-(propan-2-yloxymethyl)benzamide
CID 115767414
4-(2-ethoxypropanoylamino)-5-phenylpentanoic acid
CID 120547298
N-[(2R)-1-hydroxybutan-2-yl]-4-(propan-2-yloxymethyl)benzamide
CID 93041550
5-phenyl-4-(propanoylamino)pentanoic acid
CID 120547072
4-[[4-(methylcarbamoyl)phenyl]methylamino]-5-phenylpentanoic acid
CID 120511914
(4R)-4-[(2-phenylacetyl)amino]-5-(4-phenylmethoxyphenyl)pentanoic acid
CID 159786241
4-hydroxy-2-[[4-(propan-2-yloxymethyl)benzoyl]amino]butanoic acid
CID 61244206
N-butan-2-yl-4-(propan-2-yloxymethyl)benzamide
CID 60645984
4-[[3-(difluoromethoxy)benzoyl]amino]-5-phenylpentanoic acid
CID 120546950
(4R)-5-phenyl-4-(propan-2-ylamino)pentanoic acid
CID 155468055

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-4-[[4-(propan-2-yloxymethyl)benzoyl]amino]pentanoic acid?
The IUPAC name of 5-phenyl-4-[[4-(propan-2-yloxymethyl)benzoyl]amino]pentanoic acid (CID 120547120) is 5-phenyl-4-[[4-(propan-2-yloxymethyl)benzoyl]amino]pentanoic acid.
What is the SMILES notation for 5-phenyl-4-[[4-(propan-2-yloxymethyl)benzoyl]amino]pentanoic acid?
The canonical SMILES for 5-phenyl-4-[[4-(propan-2-yloxymethyl)benzoyl]amino]pentanoic acid is CC(C)OCc1ccc(C(=O)NC(CCC(=O)O)Cc2ccccc2)cc1.
What is the InChIKey of 5-phenyl-4-[[4-(propan-2-yloxymethyl)benzoyl]amino]pentanoic acid?
The InChIKey is FJSKOTUTRCGUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO4/c1-16(2)27-15-18-8-10-19(11-9-18)22(26)23-20(12-13-21(24)25)14-17-6-4-3-5-7-17/h3-11,16,20H,12-15H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of 5-phenyl-4-[[4-(propan-2-yloxymethyl)benzoyl]amino]pentanoic acid?
5-phenyl-4-[[4-(propan-2-yloxymethyl)benzoyl]amino]pentanoic acid has a molecular weight of 369.46 g/mol, XLogP of 3.82, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-4-[[4-(propan-2-yloxymethyl)benzoyl]amino]pentanoic acid is sourced from PubChem (CID 120547120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).