2-[[2-(cyclopropylmethoxy)-4-methoxybenzoyl]amino]hexanoic acid

C18H25NO5 — CID 120689881

IUPAC2-[[2-(cyclopropylmethoxy)-4-methoxybenzoyl]amino]hexanoic acid
SMILESCCCCC(NC(=O)c1ccc(OC)cc1OCC1CC1)C(=O)O
InChIInChI=1S/C18H25NO5/c1-3-4-5-15(18(21)22)19-17(20)14-9-8-13(23-2)10-16(14)24-11-12-6-7-12/h8-10,12,15H,3-7,11H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyIASWBNJMUJUJMV-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.86
Rot. Bonds10

About 2-[[2-(cyclopropylmethoxy)-4-methoxybenzoyl]amino]hexanoic acid

2-[[2-(cyclopropylmethoxy)-4-methoxybenzoyl]amino]hexanoic acid (PubChem CID 120689881) has the molecular formula C18H25NO5 and a molecular weight of 335.40 g/mol. Its IUPAC name is 2-[[2-(cyclopropylmethoxy)-4-methoxybenzoyl]amino]hexanoic acid.

Molecular Properties

Compound Name2-[[2-(cyclopropylmethoxy)-4-methoxybenzoyl]amino]hexanoic acid
PubChem CID120689881
Molecular FormulaC18H25NO5
Molecular Weight335.40 g/mol
Exact Mass335.17
IUPAC Name2-[[2-(cyclopropylmethoxy)-4-methoxybenzoyl]amino]hexanoic acid
SMILESCCCCC(NC(=O)c1ccc(OC)cc1OCC1CC1)C(=O)O
InChIInChI=1S/C18H25NO5/c1-3-4-5-15(18(21)22)19-17(20)14-9-8-13(23-2)10-16(14)24-11-12-6-7-12/h8-10,12,15H,3-7,11H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyIASWBNJMUJUJMV-UHFFFAOYSA-N
XLogP2.86
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,5-dimethoxybenzoyl)amino]hexanoic acid
CID 43387107
2-[(2,4-dimethoxybenzoyl)amino]-4-methoxybutanoic acid
CID 62480344
2-[(2,4-dimethoxybenzoyl)amino]butanoic acid
CID 43387212
(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-[(4,5-dimethoxy-2-methylbenzoyl)amino]hexanoic acid
CID 120614513
2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]hexanoic acid
CID 120537921
3-[[2-(cyclopropylmethoxy)-4-methoxybenzoyl]amino]-4-methylbenzoic acid
CID 120686897
2-[3-[[2-(cyclopropylmethoxy)-4-methoxybenzoyl]amino]phenyl]acetic acid
CID 120688418
4-methoxy-2-[(4-methoxy-2-methylbenzoyl)amino]butanoic acid
CID 120703108
2-[[4-(cyclopropylmethoxy)benzoyl]amino]butanoic acid
CID 119223456

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(cyclopropylmethoxy)-4-methoxybenzoyl]amino]hexanoic acid?
The IUPAC name of 2-[[2-(cyclopropylmethoxy)-4-methoxybenzoyl]amino]hexanoic acid (CID 120689881) is 2-[[2-(cyclopropylmethoxy)-4-methoxybenzoyl]amino]hexanoic acid.
What is the SMILES notation for 2-[[2-(cyclopropylmethoxy)-4-methoxybenzoyl]amino]hexanoic acid?
The canonical SMILES for 2-[[2-(cyclopropylmethoxy)-4-methoxybenzoyl]amino]hexanoic acid is CCCCC(NC(=O)c1ccc(OC)cc1OCC1CC1)C(=O)O.
What is the InChIKey of 2-[[2-(cyclopropylmethoxy)-4-methoxybenzoyl]amino]hexanoic acid?
The InChIKey is IASWBNJMUJUJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO5/c1-3-4-5-15(18(21)22)19-17(20)14-9-8-13(23-2)10-16(14)24-11-12-6-7-12/h8-10,12,15H,3-7,11H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 2-[[2-(cyclopropylmethoxy)-4-methoxybenzoyl]amino]hexanoic acid?
2-[[2-(cyclopropylmethoxy)-4-methoxybenzoyl]amino]hexanoic acid has a molecular weight of 335.40 g/mol, XLogP of 2.86, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(cyclopropylmethoxy)-4-methoxybenzoyl]amino]hexanoic acid is sourced from PubChem (CID 120689881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).