4-[[4-(2-methoxy-2-oxoethyl)phenyl]carbamoylamino]-5-phenylpentanoic acid

C21H24N2O5 — CID 122077963

IUPAC4-[[4-(2-methoxy-2-oxoethyl)phenyl]carbamoylamino]-5-phenylpentanoic acid
SMILESCOC(=O)Cc1ccc(NC(=O)NC(CCC(=O)O)Cc2ccccc2)cc1
InChIInChI=1S/C21H24N2O5/c1-28-20(26)14-16-7-9-17(10-8-16)22-21(27)23-18(11-12-19(24)25)13-15-5-3-2-4-6-15/h2-10,18H,11-14H2,1H3,(H,24,25)(H2,22,23,27)
InChIKeyCRSLUCUQKQXRIC-UHFFFAOYSA-N
MW384.43 g/mol
LogP3.00
Rot. Bonds9

About 4-[[4-(2-methoxy-2-oxoethyl)phenyl]carbamoylamino]-5-phenylpentanoic acid

4-[[4-(2-methoxy-2-oxoethyl)phenyl]carbamoylamino]-5-phenylpentanoic acid (PubChem CID 122077963) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is 4-[[4-(2-methoxy-2-oxoethyl)phenyl]carbamoylamino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[[4-(2-methoxy-2-oxoethyl)phenyl]carbamoylamino]-5-phenylpentanoic acid
PubChem CID122077963
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Name4-[[4-(2-methoxy-2-oxoethyl)phenyl]carbamoylamino]-5-phenylpentanoic acid
SMILESCOC(=O)Cc1ccc(NC(=O)NC(CCC(=O)O)Cc2ccccc2)cc1
InChIInChI=1S/C21H24N2O5/c1-28-20(26)14-16-7-9-17(10-8-16)22-21(27)23-18(11-12-19(24)25)13-15-5-3-2-4-6-15/h2-10,18H,11-14H2,1H3,(H,24,25)(H2,22,23,27)
InChIKeyCRSLUCUQKQXRIC-UHFFFAOYSA-N
XLogP3.00
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-phenyl-4-[(4-phenylphenyl)carbamoylamino]pentanoate
CID 69428404
4-[(4-chloro-3-methoxyphenyl)carbamoylamino]-5-phenylpentanoic acid
CID 122092058
4-[[3-(2-methylpropanoylamino)phenyl]carbamoylamino]-5-phenylpentanoic acid
CID 122075451
4-[2-(4-acetamidophenyl)ethylcarbamoylamino]-5-phenylpentanoic acid
CID 122000813
4-(1,3-dihydroxypropan-2-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122028316
5-phenyl-4-[(2-phenylacetyl)amino]pentanoic acid
CID 120547336
4-[(4-acetyl-3-methylphenyl)carbamoylamino]-5-phenylpentanoic acid
CID 122088165
4-[(5-methoxypyrimidin-2-yl)carbamoylamino]-5-phenylpentanoic acid
CID 122092507
4-[(3-fluoro-4-methylsulfinylphenyl)carbamoylamino]-5-phenylpentanoic acid
CID 122085643
4-[(3-methyl-4-nitrophenyl)carbamoylamino]-5-phenylpentanoic acid
CID 122088999
4-[(4-methoxy-2,3,6-trimethylphenyl)carbamoylamino]-5-phenylpentanoic acid
CID 122093496
4-[[3-(1,1-difluoroethyl)phenyl]carbamoylamino]-5-phenylpentanoic acid
CID 122090873

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-methoxy-2-oxoethyl)phenyl]carbamoylamino]-5-phenylpentanoic acid?
The IUPAC name of 4-[[4-(2-methoxy-2-oxoethyl)phenyl]carbamoylamino]-5-phenylpentanoic acid (CID 122077963) is 4-[[4-(2-methoxy-2-oxoethyl)phenyl]carbamoylamino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[[4-(2-methoxy-2-oxoethyl)phenyl]carbamoylamino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[[4-(2-methoxy-2-oxoethyl)phenyl]carbamoylamino]-5-phenylpentanoic acid is COC(=O)Cc1ccc(NC(=O)NC(CCC(=O)O)Cc2ccccc2)cc1.
What is the InChIKey of 4-[[4-(2-methoxy-2-oxoethyl)phenyl]carbamoylamino]-5-phenylpentanoic acid?
The InChIKey is CRSLUCUQKQXRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-28-20(26)14-16-7-9-17(10-8-16)22-21(27)23-18(11-12-19(24)25)13-15-5-3-2-4-6-15/h2-10,18H,11-14H2,1H3,(H,24,25)(H2,22,23,27).
What are the key properties of 4-[[4-(2-methoxy-2-oxoethyl)phenyl]carbamoylamino]-5-phenylpentanoic acid?
4-[[4-(2-methoxy-2-oxoethyl)phenyl]carbamoylamino]-5-phenylpentanoic acid has a molecular weight of 384.43 g/mol, XLogP of 3.00, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-methoxy-2-oxoethyl)phenyl]carbamoylamino]-5-phenylpentanoic acid is sourced from PubChem (CID 122077963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).