methyl 2-[4-(ethylcarbamoyl)anilino]butanoate

C14H20N2O3 — CID 115352826

IUPACmethyl 2-[4-(ethylcarbamoyl)anilino]butanoate
SMILESCCNC(=O)c1ccc(NC(CC)C(=O)OC)cc1
InChIInChI=1S/C14H20N2O3/c1-4-12(14(18)19-3)16-11-8-6-10(7-9-11)13(17)15-5-2/h6-9,12,16H,4-5H2,1-3H3,(H,15,17)
InChIKeyBLXPVNGRTVSOGJ-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.80
Rot. Bonds6

About methyl 2-[4-(ethylcarbamoyl)anilino]butanoate

methyl 2-[4-(ethylcarbamoyl)anilino]butanoate (PubChem CID 115352826) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 2-[4-(ethylcarbamoyl)anilino]butanoate.

Molecular Properties

Compound Namemethyl 2-[4-(ethylcarbamoyl)anilino]butanoate
PubChem CID115352826
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namemethyl 2-[4-(ethylcarbamoyl)anilino]butanoate
SMILESCCNC(=O)c1ccc(NC(CC)C(=O)OC)cc1
InChIInChI=1S/C14H20N2O3/c1-4-12(14(18)19-3)16-11-8-6-10(7-9-11)13(17)15-5-2/h6-9,12,16H,4-5H2,1-3H3,(H,15,17)
InChIKeyBLXPVNGRTVSOGJ-UHFFFAOYSA-N
XLogP1.80
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-2-anilinobutanoate
CID 51891380
methyl 2-[4-(methoxycarbonylamino)anilino]butanoate
CID 115352842
N-ethyl-4-(1-methoxypropan-2-ylamino)benzamide
CID 62534322
methyl 2-(4-methylsulfonylanilino)butanoate
CID 113292297
methyl N-[4-(ethylcarbamoyl)phenyl]carbamate
CID 17123934
methyl 2-[4-(sulfamoylmethyl)anilino]butanoate
CID 115352982
4-[[(2S)-2-amino-3-methylpentanoyl]amino]-N-ethylbenzamide
CID 61174601
methyl 3-[4-(ethylcarbamoyl)anilino]-3-oxopropanoate
CID 28638135
4-(2-aminopropanoylamino)-N-ethylbenzamide
CID 43712262
N-ethyl-4-[(4-methoxybenzoyl)amino]benzamide
CID 17234279
methyl 2-[[6-(dimethylamino)-3-pyridinyl]amino]butanoate
CID 113292407
methyl 2-[(4-cyanobenzoyl)amino]butanoate
CID 113252769

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(ethylcarbamoyl)anilino]butanoate?
The IUPAC name of methyl 2-[4-(ethylcarbamoyl)anilino]butanoate (CID 115352826) is methyl 2-[4-(ethylcarbamoyl)anilino]butanoate.
What is the SMILES notation for methyl 2-[4-(ethylcarbamoyl)anilino]butanoate?
The canonical SMILES for methyl 2-[4-(ethylcarbamoyl)anilino]butanoate is CCNC(=O)c1ccc(NC(CC)C(=O)OC)cc1.
What is the InChIKey of methyl 2-[4-(ethylcarbamoyl)anilino]butanoate?
The InChIKey is BLXPVNGRTVSOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-4-12(14(18)19-3)16-11-8-6-10(7-9-11)13(17)15-5-2/h6-9,12,16H,4-5H2,1-3H3,(H,15,17).
What are the key properties of methyl 2-[4-(ethylcarbamoyl)anilino]butanoate?
methyl 2-[4-(ethylcarbamoyl)anilino]butanoate has a molecular weight of 264.32 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(ethylcarbamoyl)anilino]butanoate is sourced from PubChem (CID 115352826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).