6-[(5,6,7-trimethoxynaphthalene-2-carbonyl)amino]hexanoic acid

C20H25NO6 — CID 110181550

IUPAC6-[(5,6,7-trimethoxynaphthalene-2-carbonyl)amino]hexanoic acid
SMILESCOc1cc2cc(C(=O)NCCCCCC(=O)O)ccc2c(OC)c1OC
InChIInChI=1S/C20H25NO6/c1-25-16-12-14-11-13(8-9-15(14)18(26-2)19(16)27-3)20(24)21-10-6-4-5-7-17(22)23/h8-9,11-12H,4-7,10H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyLHZXCMZVQOQVNJ-UHFFFAOYSA-N
MW375.42 g/mol
LogP3.24
Rot. Bonds10

About 6-[(5,6,7-trimethoxynaphthalene-2-carbonyl)amino]hexanoic acid

6-[(5,6,7-trimethoxynaphthalene-2-carbonyl)amino]hexanoic acid (PubChem CID 110181550) has the molecular formula C20H25NO6 and a molecular weight of 375.42 g/mol. Its IUPAC name is 6-[(5,6,7-trimethoxynaphthalene-2-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(5,6,7-trimethoxynaphthalene-2-carbonyl)amino]hexanoic acid
PubChem CID110181550
Molecular FormulaC20H25NO6
Molecular Weight375.42 g/mol
Exact Mass375.17
IUPAC Name6-[(5,6,7-trimethoxynaphthalene-2-carbonyl)amino]hexanoic acid
SMILESCOc1cc2cc(C(=O)NCCCCCC(=O)O)ccc2c(OC)c1OC
InChIInChI=1S/C20H25NO6/c1-25-16-12-14-11-13(8-9-15(14)18(26-2)19(16)27-3)20(24)21-10-6-4-5-7-17(22)23/h8-9,11-12H,4-7,10H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyLHZXCMZVQOQVNJ-UHFFFAOYSA-N
XLogP3.24
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 53.24
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
6-[(3,4,5-trimethoxybenzoyl)amino]hexanoic acid
CID 30627
7-[(3-methoxy-4-methylbenzoyl)amino]heptanoic acid
CID 24701058
6-[(4-hydroxy-3-methoxybenzoyl)amino]hexanoic acid
CID 54200792
6-[(4-fluoro-3-methoxybenzoyl)amino]hexanoic acid
CID 81283430
5-[(3-chloro-4,5-dimethoxybenzoyl)amino]pentanoic acid
CID 62032676
5-[[3-(difluoromethoxy)-4-methoxybenzoyl]amino]pentanoic acid
CID 119234202
5-[(4-acetylbenzoyl)amino]pentanoic acid
CID 119234275
5-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]pentanoic acid
CID 119234484
6-[[3,5-bis(5-carboxypentylcarbamoyl)benzoyl]amino]hexanoic acid
CID 71378278
7-[(4-methylbenzoyl)amino]heptanoic acid
CID 24695278
6-[(3-fluoro-4-methylbenzoyl)amino]hexanoic acid
CID 16787400

Frequently Asked Questions

What is the IUPAC name of 6-[(5,6,7-trimethoxynaphthalene-2-carbonyl)amino]hexanoic acid?
The IUPAC name of 6-[(5,6,7-trimethoxynaphthalene-2-carbonyl)amino]hexanoic acid (CID 110181550) is 6-[(5,6,7-trimethoxynaphthalene-2-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 6-[(5,6,7-trimethoxynaphthalene-2-carbonyl)amino]hexanoic acid?
The canonical SMILES for 6-[(5,6,7-trimethoxynaphthalene-2-carbonyl)amino]hexanoic acid is COc1cc2cc(C(=O)NCCCCCC(=O)O)ccc2c(OC)c1OC.
What is the InChIKey of 6-[(5,6,7-trimethoxynaphthalene-2-carbonyl)amino]hexanoic acid?
The InChIKey is LHZXCMZVQOQVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO6/c1-25-16-12-14-11-13(8-9-15(14)18(26-2)19(16)27-3)20(24)21-10-6-4-5-7-17(22)23/h8-9,11-12H,4-7,10H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of 6-[(5,6,7-trimethoxynaphthalene-2-carbonyl)amino]hexanoic acid?
6-[(5,6,7-trimethoxynaphthalene-2-carbonyl)amino]hexanoic acid has a molecular weight of 375.42 g/mol, XLogP of 3.24, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5,6,7-trimethoxynaphthalene-2-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 110181550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).