4-[(4-butoxy-3-chloro-5-methoxybenzoyl)amino]-4-methylpentanoic acid

C18H26ClNO5 — CID 119357380

IUPAC4-[(4-butoxy-3-chloro-5-methoxybenzoyl)amino]-4-methylpentanoic acid
SMILESCCCCOc1c(Cl)cc(C(=O)NC(C)(C)CCC(=O)O)cc1OC
InChIInChI=1S/C18H26ClNO5/c1-5-6-9-25-16-13(19)10-12(11-14(16)24-4)17(23)20-18(2,3)8-7-15(21)22/h10-11H,5-9H2,1-4H3,(H,20,23)(H,21,22)
InChIKeyGDUIPIPRDVLBJP-UHFFFAOYSA-N
MW371.86 g/mol
LogP3.90
Rot. Bonds10

About 4-[(4-butoxy-3-chloro-5-methoxybenzoyl)amino]-4-methylpentanoic acid

4-[(4-butoxy-3-chloro-5-methoxybenzoyl)amino]-4-methylpentanoic acid (PubChem CID 119357380) has the molecular formula C18H26ClNO5 and a molecular weight of 371.86 g/mol. Its IUPAC name is 4-[(4-butoxy-3-chloro-5-methoxybenzoyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[(4-butoxy-3-chloro-5-methoxybenzoyl)amino]-4-methylpentanoic acid
PubChem CID119357380
Molecular FormulaC18H26ClNO5
Molecular Weight371.86 g/mol
Exact Mass371.15
IUPAC Name4-[(4-butoxy-3-chloro-5-methoxybenzoyl)amino]-4-methylpentanoic acid
SMILESCCCCOc1c(Cl)cc(C(=O)NC(C)(C)CCC(=O)O)cc1OC
InChIInChI=1S/C18H26ClNO5/c1-5-6-9-25-16-13(19)10-12(11-14(16)24-4)17(23)20-18(2,3)8-7-15(21)22/h10-11H,5-9H2,1-4H3,(H,20,23)(H,21,22)
InChIKeyGDUIPIPRDVLBJP-UHFFFAOYSA-N
XLogP3.90
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.86
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-4-butoxy-3-chloro-5-methoxybenzamide;hydrochloride
CID 119575203
N-tert-butyl-3-chloro-4-ethoxy-5-methoxybenzamide
CID 51149799
N-(1-amino-2-methylpropan-2-yl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride
CID 119521982
4-[(4-amino-3,5-dichlorobenzoyl)amino]-4-methylpentanoic acid
CID 82832798
4-butoxy-3-chloro-5-methoxy-N-(4-phenylphenyl)benzamide
CID 7969022
4-butoxy-3-chloro-N-(2,6-dimethylphenyl)-5-methoxybenzamide
CID 18288959
3-chloro-5-methoxy-4-propoxy-N-propylbenzamide
CID 7333465
4-butoxy-3-chloro-N-[(2-chlorophenyl)methyl]-5-methoxybenzamide
CID 7973201
3-chloro-4-hexoxy-5-methoxybenzoyl chloride
CID 10063669
1-[(4-butoxy-3-chloro-5-methoxybenzoyl)amino]-3-propan-2-ylthiourea
CID 7977955
4-[(3-hydroxy-4-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 79725836
N-(3-amino-4-methoxyphenyl)-4-butoxy-3-chloro-5-methoxybenzamide;hydrochloride
CID 119420177

Frequently Asked Questions

What is the IUPAC name of 4-[(4-butoxy-3-chloro-5-methoxybenzoyl)amino]-4-methylpentanoic acid?
The IUPAC name of 4-[(4-butoxy-3-chloro-5-methoxybenzoyl)amino]-4-methylpentanoic acid (CID 119357380) is 4-[(4-butoxy-3-chloro-5-methoxybenzoyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[(4-butoxy-3-chloro-5-methoxybenzoyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 4-[(4-butoxy-3-chloro-5-methoxybenzoyl)amino]-4-methylpentanoic acid is CCCCOc1c(Cl)cc(C(=O)NC(C)(C)CCC(=O)O)cc1OC.
What is the InChIKey of 4-[(4-butoxy-3-chloro-5-methoxybenzoyl)amino]-4-methylpentanoic acid?
The InChIKey is GDUIPIPRDVLBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClNO5/c1-5-6-9-25-16-13(19)10-12(11-14(16)24-4)17(23)20-18(2,3)8-7-15(21)22/h10-11H,5-9H2,1-4H3,(H,20,23)(H,21,22).
What are the key properties of 4-[(4-butoxy-3-chloro-5-methoxybenzoyl)amino]-4-methylpentanoic acid?
4-[(4-butoxy-3-chloro-5-methoxybenzoyl)amino]-4-methylpentanoic acid has a molecular weight of 371.86 g/mol, XLogP of 3.90, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-butoxy-3-chloro-5-methoxybenzoyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 119357380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).