ethyl 4-[(2-methoxybenzoyl)amino]butanoate

C14H19NO4 — CID 60637531

IUPACethyl 4-[(2-methoxybenzoyl)amino]butanoate
SMILESCCOC(=O)CCCNC(=O)c1ccccc1OC
InChIInChI=1S/C14H19NO4/c1-3-19-13(16)9-6-10-15-14(17)11-7-4-5-8-12(11)18-2/h4-5,7-8H,3,6,9-10H2,1-2H3,(H,15,17)
InChIKeyRDLSIKOTRBVEEC-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.77
Rot. Bonds7

About ethyl 4-[(2-methoxybenzoyl)amino]butanoate

ethyl 4-[(2-methoxybenzoyl)amino]butanoate (PubChem CID 60637531) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is ethyl 4-[(2-methoxybenzoyl)amino]butanoate.

Molecular Properties

Compound Nameethyl 4-[(2-methoxybenzoyl)amino]butanoate
PubChem CID60637531
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Nameethyl 4-[(2-methoxybenzoyl)amino]butanoate
SMILESCCOC(=O)CCCNC(=O)c1ccccc1OC
InChIInChI=1S/C14H19NO4/c1-3-19-13(16)9-6-10-15-14(17)11-7-4-5-8-12(11)18-2/h4-5,7-8H,3,6,9-10H2,1-2H3,(H,15,17)
InChIKeyRDLSIKOTRBVEEC-UHFFFAOYSA-N
XLogP1.77
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[(2-aminobenzoyl)amino]butanoate;hydrochloride
CID 119944593
N-(4-bromobutyl)-2-methoxybenzamide
CID 106845963
2-methoxy-N-tridecylbenzamide
CID 139819873
11-[(2-methoxybenzoyl)amino]undecanoic acid
CID 20625360
N-(4-chlorobutyl)-2-methoxybenzamide
CID 106845525
[2-[di(propan-2-yl)amino]-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827574
ethyl 4-[[2-(difluoromethylsulfanyl)benzoyl]amino]butanoate
CID 60718055
3-[(2-methoxybenzoyl)amino]propanoic acid
CID 67981005
ethyl 4-[(3-chloro-2-fluorobenzoyl)amino]butanoate
CID 80979995
2-methoxybenzohydrazide
CID 24051
ethyl 4-[(2-amino-5-methylbenzoyl)amino]butanoate
CID 64576957
2,6-dimethoxy-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538022

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-methoxybenzoyl)amino]butanoate?
The IUPAC name of ethyl 4-[(2-methoxybenzoyl)amino]butanoate (CID 60637531) is ethyl 4-[(2-methoxybenzoyl)amino]butanoate.
What is the SMILES notation for ethyl 4-[(2-methoxybenzoyl)amino]butanoate?
The canonical SMILES for ethyl 4-[(2-methoxybenzoyl)amino]butanoate is CCOC(=O)CCCNC(=O)c1ccccc1OC.
What is the InChIKey of ethyl 4-[(2-methoxybenzoyl)amino]butanoate?
The InChIKey is RDLSIKOTRBVEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-3-19-13(16)9-6-10-15-14(17)11-7-4-5-8-12(11)18-2/h4-5,7-8H,3,6,9-10H2,1-2H3,(H,15,17).
What are the key properties of ethyl 4-[(2-methoxybenzoyl)amino]butanoate?
ethyl 4-[(2-methoxybenzoyl)amino]butanoate has a molecular weight of 265.31 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-methoxybenzoyl)amino]butanoate is sourced from PubChem (CID 60637531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).