4-[[4-(methylcarbamoyl)phenyl]methylamino]-5-phenylpentanoic acid

C20H24N2O3 — CID 120511914

IUPAC4-[[4-(methylcarbamoyl)phenyl]methylamino]-5-phenylpentanoic acid
SMILESCNC(=O)c1ccc(CNC(CCC(=O)O)Cc2ccccc2)cc1
InChIInChI=1S/C20H24N2O3/c1-21-20(25)17-9-7-16(8-10-17)14-22-18(11-12-19(23)24)13-15-5-3-2-4-6-15/h2-10,18,22H,11-14H2,1H3,(H,21,25)(H,23,24)
InChIKeyXSHGQTQKSQLCCE-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.61
Rot. Bonds9

About 4-[[4-(methylcarbamoyl)phenyl]methylamino]-5-phenylpentanoic acid

4-[[4-(methylcarbamoyl)phenyl]methylamino]-5-phenylpentanoic acid (PubChem CID 120511914) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 4-[[4-(methylcarbamoyl)phenyl]methylamino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[[4-(methylcarbamoyl)phenyl]methylamino]-5-phenylpentanoic acid
PubChem CID120511914
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name4-[[4-(methylcarbamoyl)phenyl]methylamino]-5-phenylpentanoic acid
SMILESCNC(=O)c1ccc(CNC(CCC(=O)O)Cc2ccccc2)cc1
InChIInChI=1S/C20H24N2O3/c1-21-20(25)17-9-7-16(8-10-17)14-22-18(11-12-19(23)24)13-15-5-3-2-4-6-15/h2-10,18,22H,11-14H2,1H3,(H,21,25)(H,23,24)
InChIKeyXSHGQTQKSQLCCE-UHFFFAOYSA-N
XLogP2.61
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-(2-methylpropyl)phenyl]methylamino]-5-phenylpentanoic acid
CID 120511992
4-[(4-bromophenyl)methylamino]-5-phenylpentanoic acid
CID 120512028
4-[(4-cyclopropylphenyl)methylamino]-5-phenylpentanoic acid
CID 122045700
4-[[4-(difluoromethoxy)phenyl]methylamino]-5-phenylpentanoic acid
CID 120511928
4-[(3,4-dimethoxyphenyl)methylamino]-5-phenylpentanoic acid
CID 120511858
4-[(4-chloro-3-methylphenyl)methylamino]-5-phenylpentanoic acid
CID 120512052
4-[(4-fluoro-3-methylphenyl)methylamino]-5-phenylpentanoic acid
CID 120511962
4-[(3-chloro-4-methylphenyl)methylamino]-5-phenylpentanoic acid
CID 122045862
4-[(4-acetylbenzoyl)amino]-5-phenylpentanoic acid
CID 120546799
5-phenyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)pentanoic acid
CID 122045767
4-[(3-chlorophenyl)methylamino]-5-phenylpentanoic acid
CID 120511853
4-[(2-methyl-3-phenylpropyl)amino]-5-phenylpentanoic acid
CID 122045966

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(methylcarbamoyl)phenyl]methylamino]-5-phenylpentanoic acid?
The IUPAC name of 4-[[4-(methylcarbamoyl)phenyl]methylamino]-5-phenylpentanoic acid (CID 120511914) is 4-[[4-(methylcarbamoyl)phenyl]methylamino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[[4-(methylcarbamoyl)phenyl]methylamino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[[4-(methylcarbamoyl)phenyl]methylamino]-5-phenylpentanoic acid is CNC(=O)c1ccc(CNC(CCC(=O)O)Cc2ccccc2)cc1.
What is the InChIKey of 4-[[4-(methylcarbamoyl)phenyl]methylamino]-5-phenylpentanoic acid?
The InChIKey is XSHGQTQKSQLCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-21-20(25)17-9-7-16(8-10-17)14-22-18(11-12-19(23)24)13-15-5-3-2-4-6-15/h2-10,18,22H,11-14H2,1H3,(H,21,25)(H,23,24).
What are the key properties of 4-[[4-(methylcarbamoyl)phenyl]methylamino]-5-phenylpentanoic acid?
4-[[4-(methylcarbamoyl)phenyl]methylamino]-5-phenylpentanoic acid has a molecular weight of 340.42 g/mol, XLogP of 2.61, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(methylcarbamoyl)phenyl]methylamino]-5-phenylpentanoic acid is sourced from PubChem (CID 120511914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).