7-[3-(4-methylphenyl)propanoylamino]heptanoic acid

C17H25NO3 — CID 43359020

IUPAC7-[3-(4-methylphenyl)propanoylamino]heptanoic acid
SMILESCc1ccc(CCC(=O)NCCCCCCC(=O)O)cc1
InChIInChI=1S/C17H25NO3/c1-14-7-9-15(10-8-14)11-12-16(19)18-13-5-3-2-4-6-17(20)21/h7-10H,2-6,11-13H2,1H3,(H,18,19)(H,20,21)
InChIKeyLZTYLEVKZMEVHK-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.08
Rot. Bonds10

About 7-[3-(4-methylphenyl)propanoylamino]heptanoic acid

7-[3-(4-methylphenyl)propanoylamino]heptanoic acid (PubChem CID 43359020) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 7-[3-(4-methylphenyl)propanoylamino]heptanoic acid.

Molecular Properties

Compound Name7-[3-(4-methylphenyl)propanoylamino]heptanoic acid
PubChem CID43359020
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name7-[3-(4-methylphenyl)propanoylamino]heptanoic acid
SMILESCc1ccc(CCC(=O)NCCCCCCC(=O)O)cc1
InChIInChI=1S/C17H25NO3/c1-14-7-9-15(10-8-14)11-12-16(19)18-13-5-3-2-4-6-17(20)21/h7-10H,2-6,11-13H2,1H3,(H,18,19)(H,20,21)
InChIKeyLZTYLEVKZMEVHK-UHFFFAOYSA-N
XLogP3.08
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[3-(3,5-dimethylphenyl)propanoylamino]hexanoic acid
CID 120522582
N-(6-iodohexyl)-3-(4-methylphenyl)propanamide
CID 107848485
N-(4-chlorobutyl)-3-(4-methylphenyl)propanamide
CID 106845485
10-(4-methylphenyl)decanoic acid
CID 54262490
butanoic acid;N-butyl-5-(4-methylphenyl)pentanamide
CID 178048626
N-(4-cyanobutyl)-3-(4-methylphenyl)propanamide
CID 63284353
2-[3-(4-methylphenyl)propanoylamino]acetic acid
CID 43354539
N-[3-(dimethylamino)propyl]-3-(4-methylphenyl)propanamide
CID 110755343
8-(4-phenylbutanoylamino)octanoic acid
CID 71129906
6-[4-(4-chlorophenyl)butanoylamino]hexanoic acid
CID 94966413
N-(3-cyanopropyl)-3-(4-methylphenyl)propanamide
CID 55102075
3-(4-methylphenyl)-N-(3-phenoxypropyl)propanamide
CID 10803968

Frequently Asked Questions

What is the IUPAC name of 7-[3-(4-methylphenyl)propanoylamino]heptanoic acid?
The IUPAC name of 7-[3-(4-methylphenyl)propanoylamino]heptanoic acid (CID 43359020) is 7-[3-(4-methylphenyl)propanoylamino]heptanoic acid.
What is the SMILES notation for 7-[3-(4-methylphenyl)propanoylamino]heptanoic acid?
The canonical SMILES for 7-[3-(4-methylphenyl)propanoylamino]heptanoic acid is Cc1ccc(CCC(=O)NCCCCCCC(=O)O)cc1.
What is the InChIKey of 7-[3-(4-methylphenyl)propanoylamino]heptanoic acid?
The InChIKey is LZTYLEVKZMEVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-14-7-9-15(10-8-14)11-12-16(19)18-13-5-3-2-4-6-17(20)21/h7-10H,2-6,11-13H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 7-[3-(4-methylphenyl)propanoylamino]heptanoic acid?
7-[3-(4-methylphenyl)propanoylamino]heptanoic acid has a molecular weight of 291.39 g/mol, XLogP of 3.08, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(4-methylphenyl)propanoylamino]heptanoic acid is sourced from PubChem (CID 43359020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).