7-[(3-methoxy-4-methylbenzoyl)amino]heptanoic acid

C16H23NO4 — CID 24701058

IUPAC7-[(3-methoxy-4-methylbenzoyl)amino]heptanoic acid
SMILESCOc1cc(C(=O)NCCCCCCC(=O)O)ccc1C
InChIInChI=1S/C16H23NO4/c1-12-8-9-13(11-14(12)21-2)16(20)17-10-6-4-3-5-7-15(18)19/h8-9,11H,3-7,10H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyUMBZPRQNTZBWCH-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.77
Rot. Bonds9

About 7-[(3-methoxy-4-methylbenzoyl)amino]heptanoic acid

7-[(3-methoxy-4-methylbenzoyl)amino]heptanoic acid (PubChem CID 24701058) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 7-[(3-methoxy-4-methylbenzoyl)amino]heptanoic acid.

Molecular Properties

Compound Name7-[(3-methoxy-4-methylbenzoyl)amino]heptanoic acid
PubChem CID24701058
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name7-[(3-methoxy-4-methylbenzoyl)amino]heptanoic acid
SMILESCOc1cc(C(=O)NCCCCCCC(=O)O)ccc1C
InChIInChI=1S/C16H23NO4/c1-12-8-9-13(11-14(12)21-2)16(20)17-10-6-4-3-5-7-15(18)19/h8-9,11H,3-7,10H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyUMBZPRQNTZBWCH-UHFFFAOYSA-N
XLogP2.77
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[(4-hydroxy-3-methoxybenzoyl)amino]hexanoic acid
CID 54200792
6-[(4-fluoro-3-methoxybenzoyl)amino]hexanoic acid
CID 81283430
8-[(3,4,5-trimethoxybenzoyl)amino]octanoic acid
CID 22040273
6-[(3,4,5-trimethoxybenzoyl)amino]hexanoic acid
CID 30627
N-(4-aminobutyl)-3-methoxy-4-methylbenzamide
CID 60893959
5-[[3-(difluoromethoxy)-4-methoxybenzoyl]amino]pentanoic acid
CID 119234202
6-[(3-chloro-4-methylbenzoyl)amino]hexanoic acid
CID 55161013
6-[(3-fluoro-4-methylbenzoyl)amino]hexanoic acid
CID 16787400
6-[(5,6,7-trimethoxynaphthalene-2-carbonyl)amino]hexanoic acid
CID 110181550
N-hex-5-ynyl-3-methoxy-4-methylbenzamide
CID 103757934
N-(2-aminoethyl)-3-methoxy-4-methylbenzamide
CID 18071038
5-[(4-methoxy-2-methylbenzoyl)amino]pentanoic acid
CID 119234134

Frequently Asked Questions

What is the IUPAC name of 7-[(3-methoxy-4-methylbenzoyl)amino]heptanoic acid?
The IUPAC name of 7-[(3-methoxy-4-methylbenzoyl)amino]heptanoic acid (CID 24701058) is 7-[(3-methoxy-4-methylbenzoyl)amino]heptanoic acid.
What is the SMILES notation for 7-[(3-methoxy-4-methylbenzoyl)amino]heptanoic acid?
The canonical SMILES for 7-[(3-methoxy-4-methylbenzoyl)amino]heptanoic acid is COc1cc(C(=O)NCCCCCCC(=O)O)ccc1C.
What is the InChIKey of 7-[(3-methoxy-4-methylbenzoyl)amino]heptanoic acid?
The InChIKey is UMBZPRQNTZBWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-12-8-9-13(11-14(12)21-2)16(20)17-10-6-4-3-5-7-15(18)19/h8-9,11H,3-7,10H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 7-[(3-methoxy-4-methylbenzoyl)amino]heptanoic acid?
7-[(3-methoxy-4-methylbenzoyl)amino]heptanoic acid has a molecular weight of 293.36 g/mol, XLogP of 2.77, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-methoxy-4-methylbenzoyl)amino]heptanoic acid is sourced from PubChem (CID 24701058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).