butyl 4-[(2-hydroxybenzoyl)amino]butanoate

C15H21NO4 — CID 141205227

IUPACbutyl 4-[(2-hydroxybenzoyl)amino]butanoate
SMILESCCCCOC(=O)CCCNC(=O)c1ccccc1O
InChIInChI=1S/C15H21NO4/c1-2-3-11-20-14(18)9-6-10-16-15(19)12-7-4-5-8-13(12)17/h4-5,7-8,17H,2-3,6,9-11H2,1H3,(H,16,19)
InChIKeyRWNHZGCSUQSWAV-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.25
Rot. Bonds8

About butyl 4-[(2-hydroxybenzoyl)amino]butanoate

butyl 4-[(2-hydroxybenzoyl)amino]butanoate (PubChem CID 141205227) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is butyl 4-[(2-hydroxybenzoyl)amino]butanoate.

Molecular Properties

Compound Namebutyl 4-[(2-hydroxybenzoyl)amino]butanoate
PubChem CID141205227
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Namebutyl 4-[(2-hydroxybenzoyl)amino]butanoate
SMILESCCCCOC(=O)CCCNC(=O)c1ccccc1O
InChIInChI=1S/C15H21NO4/c1-2-3-11-20-14(18)9-6-10-16-15(19)12-7-4-5-8-13(12)17/h4-5,7-8,17H,2-3,6,9-11H2,1H3,(H,16,19)
InChIKeyRWNHZGCSUQSWAV-UHFFFAOYSA-N
XLogP2.25
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.25
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

butyl 2-hydroxybenzoate;butyl pentanoate
CID 174922540
pentyl 3-[(2-chlorobenzoyl)amino]propanoate
CID 91716440
hexyl 3-[(2-methylbenzoyl)amino]propanoate
CID 91710225
decyl 3-[(2-chlorobenzoyl)amino]propanoate
CID 91716594
dodecyl 3-[(2-methylbenzoyl)amino]propanoate
CID 91710231
butyl 4-(phenylmethoxycarbonylamino)butanoate
CID 102295168
ethyl 4-[(2-aminobenzoyl)amino]butanoate;hydrochloride
CID 119944593
dodecyl-[3-[(2-hydroxybenzoyl)amino]propyl]-methylsulfanium bromide
CID 71441333
ethyl 4-[(2-methoxybenzoyl)amino]butanoate
CID 60637531
bis(6-butoxy-6-oxohexyl) benzene-1,2-dicarboxylate
CID 175264378
ethyl 4-[(5-chloro-2-hydroxybenzoyl)amino]butanoate
CID 60520407
pentyl 4-[[2-(2-chlorophenyl)acetyl]amino]butanoate
CID 141143852

Frequently Asked Questions

What is the IUPAC name of butyl 4-[(2-hydroxybenzoyl)amino]butanoate?
The IUPAC name of butyl 4-[(2-hydroxybenzoyl)amino]butanoate (CID 141205227) is butyl 4-[(2-hydroxybenzoyl)amino]butanoate.
What is the SMILES notation for butyl 4-[(2-hydroxybenzoyl)amino]butanoate?
The canonical SMILES for butyl 4-[(2-hydroxybenzoyl)amino]butanoate is CCCCOC(=O)CCCNC(=O)c1ccccc1O.
What is the InChIKey of butyl 4-[(2-hydroxybenzoyl)amino]butanoate?
The InChIKey is RWNHZGCSUQSWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-2-3-11-20-14(18)9-6-10-16-15(19)12-7-4-5-8-13(12)17/h4-5,7-8,17H,2-3,6,9-11H2,1H3,(H,16,19).
What are the key properties of butyl 4-[(2-hydroxybenzoyl)amino]butanoate?
butyl 4-[(2-hydroxybenzoyl)amino]butanoate has a molecular weight of 279.34 g/mol, XLogP of 2.25, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-[(2-hydroxybenzoyl)amino]butanoate is sourced from PubChem (CID 141205227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).