4-[(4-methoxy-2,3,6-trimethylphenyl)carbamoylamino]-5-phenylpentanoic acid

C22H28N2O4 — CID 122093496

IUPAC4-[(4-methoxy-2,3,6-trimethylphenyl)carbamoylamino]-5-phenylpentanoic acid
SMILESCOc1cc(C)c(NC(=O)NC(CCC(=O)O)Cc2ccccc2)c(C)c1C
InChIInChI=1S/C22H28N2O4/c1-14-12-19(28-4)15(2)16(3)21(14)24-22(27)23-18(10-11-20(25)26)13-17-8-6-5-7-9-17/h5-9,12,18H,10-11,13H2,1-4H3,(H,25,26)(H2,23,24,27)
InChIKeyFRYFINHTJRVLCO-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.22
Rot. Bonds8

About 4-[(4-methoxy-2,3,6-trimethylphenyl)carbamoylamino]-5-phenylpentanoic acid

4-[(4-methoxy-2,3,6-trimethylphenyl)carbamoylamino]-5-phenylpentanoic acid (PubChem CID 122093496) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 4-[(4-methoxy-2,3,6-trimethylphenyl)carbamoylamino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[(4-methoxy-2,3,6-trimethylphenyl)carbamoylamino]-5-phenylpentanoic acid
PubChem CID122093496
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name4-[(4-methoxy-2,3,6-trimethylphenyl)carbamoylamino]-5-phenylpentanoic acid
SMILESCOc1cc(C)c(NC(=O)NC(CCC(=O)O)Cc2ccccc2)c(C)c1C
InChIInChI=1S/C22H28N2O4/c1-14-12-19(28-4)15(2)16(3)21(14)24-22(27)23-18(10-11-20(25)26)13-17-8-6-5-7-9-17/h5-9,12,18H,10-11,13H2,1-4H3,(H,25,26)(H2,23,24,27)
InChIKeyFRYFINHTJRVLCO-UHFFFAOYSA-N
XLogP4.22
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-chloro-3-methoxyphenyl)carbamoylamino]-5-phenylpentanoic acid
CID 122092058
4-[(2-methoxy-5-methyl-3-pyridinyl)carbamoylamino]-5-phenylpentanoic acid
CID 122086037
4-[(5-methoxypyrimidin-2-yl)carbamoylamino]-5-phenylpentanoic acid
CID 122092507
4-[(4-acetyl-3-methylphenyl)carbamoylamino]-5-phenylpentanoic acid
CID 122088165
4-[[4-(2-methoxy-2-oxoethyl)phenyl]carbamoylamino]-5-phenylpentanoic acid
CID 122077963
4-[(2-methyl-5-methylsulfanylphenyl)carbamoylamino]-5-phenylpentanoic acid
CID 122088884
4-[(2,4-dimethoxybenzoyl)amino]-5-phenylpentanoic acid
CID 120546954
4-(1,3-dihydroxypropan-2-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122028316
4-[(2-methyl-4-nitrophenyl)carbamoylamino]-5-phenylpentanoic acid
CID 122090156
4-[(3-methyl-4-nitrophenyl)carbamoylamino]-5-phenylpentanoic acid
CID 122088999
4-[[1-(1-methoxypropan-2-yl)pyrazol-3-yl]carbamoylamino]-5-phenylpentanoic acid
CID 122090813
5-phenyl-4-[[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]carbamoylamino]pentanoic acid
CID 122028015

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxy-2,3,6-trimethylphenyl)carbamoylamino]-5-phenylpentanoic acid?
The IUPAC name of 4-[(4-methoxy-2,3,6-trimethylphenyl)carbamoylamino]-5-phenylpentanoic acid (CID 122093496) is 4-[(4-methoxy-2,3,6-trimethylphenyl)carbamoylamino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[(4-methoxy-2,3,6-trimethylphenyl)carbamoylamino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[(4-methoxy-2,3,6-trimethylphenyl)carbamoylamino]-5-phenylpentanoic acid is COc1cc(C)c(NC(=O)NC(CCC(=O)O)Cc2ccccc2)c(C)c1C.
What is the InChIKey of 4-[(4-methoxy-2,3,6-trimethylphenyl)carbamoylamino]-5-phenylpentanoic acid?
The InChIKey is FRYFINHTJRVLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-14-12-19(28-4)15(2)16(3)21(14)24-22(27)23-18(10-11-20(25)26)13-17-8-6-5-7-9-17/h5-9,12,18H,10-11,13H2,1-4H3,(H,25,26)(H2,23,24,27).
What are the key properties of 4-[(4-methoxy-2,3,6-trimethylphenyl)carbamoylamino]-5-phenylpentanoic acid?
4-[(4-methoxy-2,3,6-trimethylphenyl)carbamoylamino]-5-phenylpentanoic acid has a molecular weight of 384.48 g/mol, XLogP of 4.22, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxy-2,3,6-trimethylphenyl)carbamoylamino]-5-phenylpentanoic acid is sourced from PubChem (CID 122093496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).