6-[(3,4,5-trimethoxybenzoyl)amino]hexanoic acid

C16H23NO6 — CID 30627

IUPAC6-[(3,4,5-trimethoxybenzoyl)amino]hexanoic acid
SMILESCOc1cc(C(=O)NCCCCCC(=O)O)cc(OC)c1OC
InChIInChI=1S/C16H23NO6/c1-21-12-9-11(10-13(22-2)15(12)23-3)16(20)17-8-6-4-5-7-14(18)19/h9-10H,4-8H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyMPTXLVRHYGBOQY-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.09
Rot. Bonds10

About 6-[(3,4,5-trimethoxybenzoyl)amino]hexanoic acid

6-[(3,4,5-trimethoxybenzoyl)amino]hexanoic acid (PubChem CID 30627) has the molecular formula C16H23NO6 and a molecular weight of 325.36 g/mol. Its IUPAC name is 6-[(3,4,5-trimethoxybenzoyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(3,4,5-trimethoxybenzoyl)amino]hexanoic acid
PubChem CID30627
Molecular FormulaC16H23NO6
Molecular Weight325.36 g/mol
Exact Mass325.15
IUPAC Name6-[(3,4,5-trimethoxybenzoyl)amino]hexanoic acid
SMILESCOc1cc(C(=O)NCCCCCC(=O)O)cc(OC)c1OC
InChIInChI=1S/C16H23NO6/c1-21-12-9-11(10-13(22-2)15(12)23-3)16(20)17-8-6-4-5-7-14(18)19/h9-10H,4-8H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyMPTXLVRHYGBOQY-UHFFFAOYSA-N
XLogP2.09
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

8-[(3,4,5-trimethoxybenzoyl)amino]octanoic acid
CID 22040273
5-[(3-chloro-4,5-dimethoxybenzoyl)amino]pentanoic acid
CID 62032676
N-decyl-3,4,5-trimethoxybenzamide
CID 5067444
7-[(3-methoxy-4-methylbenzoyl)amino]heptanoic acid
CID 24701058
6-[(5,6,7-trimethoxynaphthalene-2-carbonyl)amino]hexanoic acid
CID 110181550
N-(4-amino-4-oxobutyl)-3,4,5-trimethoxybenzamide
CID 5235271
6-[(4-hydroxy-3-methoxybenzoyl)amino]hexanoic acid
CID 54200792
6-[[3,5-bis(5-carboxypentylcarbamoyl)benzoyl]amino]hexanoic acid
CID 71378278
6-[(4-fluoro-3-methoxybenzoyl)amino]hexanoic acid
CID 81283430
4-[[4-(difluoromethoxy)-3,5-dimethoxybenzoyl]amino]butanoic acid
CID 119352935
5-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]pentanoic acid
CID 119234484
N-[3-(dimethylamino)propyl]-3,4,5-trimethoxybenzamide
CID 2315964

Frequently Asked Questions

What is the IUPAC name of 6-[(3,4,5-trimethoxybenzoyl)amino]hexanoic acid?
The IUPAC name of 6-[(3,4,5-trimethoxybenzoyl)amino]hexanoic acid (CID 30627) is 6-[(3,4,5-trimethoxybenzoyl)amino]hexanoic acid.
What is the SMILES notation for 6-[(3,4,5-trimethoxybenzoyl)amino]hexanoic acid?
The canonical SMILES for 6-[(3,4,5-trimethoxybenzoyl)amino]hexanoic acid is COc1cc(C(=O)NCCCCCC(=O)O)cc(OC)c1OC.
What is the InChIKey of 6-[(3,4,5-trimethoxybenzoyl)amino]hexanoic acid?
The InChIKey is MPTXLVRHYGBOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO6/c1-21-12-9-11(10-13(22-2)15(12)23-3)16(20)17-8-6-4-5-7-14(18)19/h9-10H,4-8H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of 6-[(3,4,5-trimethoxybenzoyl)amino]hexanoic acid?
6-[(3,4,5-trimethoxybenzoyl)amino]hexanoic acid has a molecular weight of 325.36 g/mol, XLogP of 2.09, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,4,5-trimethoxybenzoyl)amino]hexanoic acid is sourced from PubChem (CID 30627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).