(3-carbamoylphenyl)methyl 2-ethylbutanoate

C14H19NO3 — CID 60562017

IUPAC(3-carbamoylphenyl)methyl 2-ethylbutanoate
SMILESCCC(CC)C(=O)OCc1cccc(C(N)=O)c1
InChIInChI=1S/C14H19NO3/c1-3-11(4-2)14(17)18-9-10-6-5-7-12(8-10)13(15)16/h5-8,11H,3-4,9H2,1-2H3,(H2,15,16)
InChIKeyLIICIAGHCTYUBR-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.26
Rot. Bonds6

About (3-carbamoylphenyl)methyl 2-ethylbutanoate

(3-carbamoylphenyl)methyl 2-ethylbutanoate (PubChem CID 60562017) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (3-carbamoylphenyl)methyl 2-ethylbutanoate.

Molecular Properties

Compound Name(3-carbamoylphenyl)methyl 2-ethylbutanoate
PubChem CID60562017
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(3-carbamoylphenyl)methyl 2-ethylbutanoate
SMILESCCC(CC)C(=O)OCc1cccc(C(N)=O)c1
InChIInChI=1S/C14H19NO3/c1-3-11(4-2)14(17)18-9-10-6-5-7-12(8-10)13(15)16/h5-8,11H,3-4,9H2,1-2H3,(H2,15,16)
InChIKeyLIICIAGHCTYUBR-UHFFFAOYSA-N
XLogP2.26
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-carbamoylphenyl)methyl 2-ethylbutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(acetyloxymethyl)phenyl]methyl 2-ethylbutanoate
CID 170293826
(3-carbamoylphenyl)methyl 3-(4-fluorophenyl)butanoate
CID 60541514
3-(2-methylpropyl)benzamide
CID 23130390
3-[(4-fluorophenoxy)methyl]benzamide
CID 47027867
pyridin-3-ylmethyl 2-ethylbutanoate
CID 78841882
(3-carbamoylphenyl)methyl 2-aminobenzoate
CID 61322407
3-(sulfanylmethyl)benzamide
CID 118350806
(3-carbamoylphenyl)methyl 3-(4-fluorophenyl)prop-2-enoate
CID 76861544
(3-carbamoylphenyl)methyl 2,4-diaminobenzoate
CID 61321979
ethyl 2-[(3-carbamoylphenyl)methylamino]propanoate
CID 61498569
3-[(2-bromobutanoylamino)methyl]benzamide
CID 62855612
3-[(3-carbamoylphenoxy)methyl]benzoic acid
CID 24710779

Frequently Asked Questions

What is the IUPAC name of (3-carbamoylphenyl)methyl 2-ethylbutanoate?
The IUPAC name of (3-carbamoylphenyl)methyl 2-ethylbutanoate (CID 60562017) is (3-carbamoylphenyl)methyl 2-ethylbutanoate.
What is the SMILES notation for (3-carbamoylphenyl)methyl 2-ethylbutanoate?
The canonical SMILES for (3-carbamoylphenyl)methyl 2-ethylbutanoate is CCC(CC)C(=O)OCc1cccc(C(N)=O)c1.
What is the InChIKey of (3-carbamoylphenyl)methyl 2-ethylbutanoate?
The InChIKey is LIICIAGHCTYUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-3-11(4-2)14(17)18-9-10-6-5-7-12(8-10)13(15)16/h5-8,11H,3-4,9H2,1-2H3,(H2,15,16).
What are the key properties of (3-carbamoylphenyl)methyl 2-ethylbutanoate?
(3-carbamoylphenyl)methyl 2-ethylbutanoate has a molecular weight of 249.31 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-carbamoylphenyl)methyl 2-ethylbutanoate is sourced from PubChem (CID 60562017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).