7-[(4-carbamoylbenzoyl)amino]heptanoic acid

C15H20N2O4 — CID 43358997

IUPAC7-[(4-carbamoylbenzoyl)amino]heptanoic acid
SMILESNC(=O)c1ccc(C(=O)NCCCCCCC(=O)O)cc1
InChIInChI=1S/C15H20N2O4/c16-14(20)11-6-8-12(9-7-11)15(21)17-10-4-2-1-3-5-13(18)19/h6-9H,1-5,10H2,(H2,16,20)(H,17,21)(H,18,19)
InChIKeyNWFFHYJPAFTJPD-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.55
Rot. Bonds9

About 7-[(4-carbamoylbenzoyl)amino]heptanoic acid

7-[(4-carbamoylbenzoyl)amino]heptanoic acid (PubChem CID 43358997) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 7-[(4-carbamoylbenzoyl)amino]heptanoic acid.

Molecular Properties

Compound Name7-[(4-carbamoylbenzoyl)amino]heptanoic acid
PubChem CID43358997
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name7-[(4-carbamoylbenzoyl)amino]heptanoic acid
SMILESNC(=O)c1ccc(C(=O)NCCCCCCC(=O)O)cc1
InChIInChI=1S/C15H20N2O4/c16-14(20)11-6-8-12(9-7-11)15(21)17-10-4-2-1-3-5-13(18)19/h6-9H,1-5,10H2,(H2,16,20)(H,17,21)(H,18,19)
InChIKeyNWFFHYJPAFTJPD-UHFFFAOYSA-N
XLogP1.55
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-[(4-hydroxybenzoyl)amino]heptanoic acid
CID 24691793
7-[(4-methylbenzoyl)amino]heptanoic acid
CID 24695278
5-[(4-acetylbenzoyl)amino]pentanoic acid
CID 119234275
6-[(4-carbamoylphenyl)carbamoylamino]hexanoic acid
CID 61185640
7-[[4-(dimethylcarbamoyl)benzoyl]amino]heptanoic acid
CID 119350798
6-[[3,5-bis(5-carboxypentylcarbamoyl)benzoyl]amino]hexanoic acid
CID 71378278
4-N-(3-aminopropyl)benzene-1,4-dicarboxamide
CID 11053215
4-(3-carboxypropylcarbamoyl)benzoic acid
CID 119112063
5-[(4-ethylbenzoyl)amino]pentanoic acid
CID 62034291
ethyl 4-[7-[(4-carbamoylbenzoyl)amino]heptylcarbamoyl]benzoate
CID 58936752
5-[(3,4-dihydroxybenzoyl)amino]pentanoic acid
CID 107728107
bis(decanedioic acid);tetrakis(4-methylbenzamide)
CID 139195155

Frequently Asked Questions

What is the IUPAC name of 7-[(4-carbamoylbenzoyl)amino]heptanoic acid?
The IUPAC name of 7-[(4-carbamoylbenzoyl)amino]heptanoic acid (CID 43358997) is 7-[(4-carbamoylbenzoyl)amino]heptanoic acid.
What is the SMILES notation for 7-[(4-carbamoylbenzoyl)amino]heptanoic acid?
The canonical SMILES for 7-[(4-carbamoylbenzoyl)amino]heptanoic acid is NC(=O)c1ccc(C(=O)NCCCCCCC(=O)O)cc1.
What is the InChIKey of 7-[(4-carbamoylbenzoyl)amino]heptanoic acid?
The InChIKey is NWFFHYJPAFTJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c16-14(20)11-6-8-12(9-7-11)15(21)17-10-4-2-1-3-5-13(18)19/h6-9H,1-5,10H2,(H2,16,20)(H,17,21)(H,18,19).
What are the key properties of 7-[(4-carbamoylbenzoyl)amino]heptanoic acid?
7-[(4-carbamoylbenzoyl)amino]heptanoic acid has a molecular weight of 292.33 g/mol, XLogP of 1.55, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-carbamoylbenzoyl)amino]heptanoic acid is sourced from PubChem (CID 43358997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).