2-[(2,5-dimethoxybenzoyl)amino]hexanoic acid

C15H21NO5 — CID 43387107

IUPAC2-[(2,5-dimethoxybenzoyl)amino]hexanoic acid
SMILESCCCCC(NC(=O)c1cc(OC)ccc1OC)C(=O)O
InChIInChI=1S/C15H21NO5/c1-4-5-6-12(15(18)19)16-14(17)11-9-10(20-2)7-8-13(11)21-3/h7-9,12H,4-6H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyKPTSDWSDENOZTK-UHFFFAOYSA-N
MW295.33 g/mol
LogP2.08
Rot. Bonds8

About 2-[(2,5-dimethoxybenzoyl)amino]hexanoic acid

2-[(2,5-dimethoxybenzoyl)amino]hexanoic acid (PubChem CID 43387107) has the molecular formula C15H21NO5 and a molecular weight of 295.33 g/mol. Its IUPAC name is 2-[(2,5-dimethoxybenzoyl)amino]hexanoic acid.

Molecular Properties

Compound Name2-[(2,5-dimethoxybenzoyl)amino]hexanoic acid
PubChem CID43387107
Molecular FormulaC15H21NO5
Molecular Weight295.33 g/mol
Exact Mass295.14
IUPAC Name2-[(2,5-dimethoxybenzoyl)amino]hexanoic acid
SMILESCCCCC(NC(=O)c1cc(OC)ccc1OC)C(=O)O
InChIInChI=1S/C15H21NO5/c1-4-5-6-12(15(18)19)16-14(17)11-9-10(20-2)7-8-13(11)21-3/h7-9,12H,4-6H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyKPTSDWSDENOZTK-UHFFFAOYSA-N
XLogP2.08
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,5-dimethoxybenzoyl)amino]butanoic acid
CID 43387399
2-[(2,5-dimethoxybenzoyl)amino]-3-hydroxypropanoic acid
CID 43357821
2-[[2-(cyclopropylmethoxy)-4-methoxybenzoyl]amino]hexanoic acid
CID 120689881
(2S)-2-[(4,5-dimethoxy-2-methylbenzoyl)amino]hexanoic acid
CID 120614513
(2S)-2-[(3-hydroxy-4-methoxybenzoyl)amino]hexanoic acid
CID 107144546
2-[(2,4-dimethoxybenzoyl)amino]-4-methoxybutanoic acid
CID 62480344
2-[(2,4-dimethoxybenzoyl)amino]butanoic acid
CID 43387212
(2S)-2-[(2,5-dimethoxybenzoyl)amino]-3-methylbutanoic acid
CID 61137607
(2R)-2-[(2-amino-4-methoxybenzoyl)amino]pentanoic acid
CID 103869949
2-[(2-hydroxy-4-methoxybenzoyl)amino]-5-methoxypentanoic acid
CID 81085345
(2S)-2-[(2,4-dimethoxyphenyl)methylamino]hexanoic acid
CID 120511723
(2S)-2-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]hexanoic acid
CID 107144268

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethoxybenzoyl)amino]hexanoic acid?
The IUPAC name of 2-[(2,5-dimethoxybenzoyl)amino]hexanoic acid (CID 43387107) is 2-[(2,5-dimethoxybenzoyl)amino]hexanoic acid.
What is the SMILES notation for 2-[(2,5-dimethoxybenzoyl)amino]hexanoic acid?
The canonical SMILES for 2-[(2,5-dimethoxybenzoyl)amino]hexanoic acid is CCCCC(NC(=O)c1cc(OC)ccc1OC)C(=O)O.
What is the InChIKey of 2-[(2,5-dimethoxybenzoyl)amino]hexanoic acid?
The InChIKey is KPTSDWSDENOZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-4-5-6-12(15(18)19)16-14(17)11-9-10(20-2)7-8-13(11)21-3/h7-9,12H,4-6H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(2,5-dimethoxybenzoyl)amino]hexanoic acid?
2-[(2,5-dimethoxybenzoyl)amino]hexanoic acid has a molecular weight of 295.33 g/mol, XLogP of 2.08, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethoxybenzoyl)amino]hexanoic acid is sourced from PubChem (CID 43387107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).