ethyl 4-[(2-amino-5-methylbenzoyl)amino]butanoate

C14H20N2O3 — CID 64576957

IUPACethyl 4-[(2-amino-5-methylbenzoyl)amino]butanoate
SMILESCCOC(=O)CCCNC(=O)c1cc(C)ccc1N
InChIInChI=1S/C14H20N2O3/c1-3-19-13(17)5-4-8-16-14(18)11-9-10(2)6-7-12(11)15/h6-7,9H,3-5,8,15H2,1-2H3,(H,16,18)
InChIKeyVNQMFZXHZAKMTC-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.65
Rot. Bonds6

About ethyl 4-[(2-amino-5-methylbenzoyl)amino]butanoate

ethyl 4-[(2-amino-5-methylbenzoyl)amino]butanoate (PubChem CID 64576957) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is ethyl 4-[(2-amino-5-methylbenzoyl)amino]butanoate.

Molecular Properties

Compound Nameethyl 4-[(2-amino-5-methylbenzoyl)amino]butanoate
PubChem CID64576957
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Nameethyl 4-[(2-amino-5-methylbenzoyl)amino]butanoate
SMILESCCOC(=O)CCCNC(=O)c1cc(C)ccc1N
InChIInChI=1S/C14H20N2O3/c1-3-19-13(17)5-4-8-16-14(18)11-9-10(2)6-7-12(11)15/h6-7,9H,3-5,8,15H2,1-2H3,(H,16,18)
InChIKeyVNQMFZXHZAKMTC-UHFFFAOYSA-N
XLogP1.65
TPSA81.42 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 ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[(2-aminobenzoyl)amino]butanoate;hydrochloride
CID 119944593
2-amino-N-(2-ethoxyethyl)-5-methylbenzamide
CID 62074208
2-amino-N-(3-butoxypropyl)-5-methylbenzamide
CID 110485990
2-amino-N-(3-ethylsulfanylpropyl)-5-methylbenzamide
CID 114247737
2-amino-N-[4-(diethylamino)butyl]-5-methylbenzamide
CID 110485996
2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-5-methylbenzamide
CID 79386137
ethyl 4-[(5-chloro-2-methylbenzoyl)amino]butanoate
CID 113329829
ethyl 4-[(2,5-dichlorobenzoyl)amino]butanoate
CID 60637290
ethyl 4-[(2-methoxybenzoyl)amino]butanoate
CID 60637531
2-amino-N-ethoxy-5-methylbenzamide
CID 64974666
2-amino-N-[2-(2-methoxyethoxy)ethyl]-5-methylbenzamide
CID 62511103
ethyl 4-[(4-fluoro-2-methylbenzoyl)amino]butanoate
CID 112702353

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-amino-5-methylbenzoyl)amino]butanoate?
The IUPAC name of ethyl 4-[(2-amino-5-methylbenzoyl)amino]butanoate (CID 64576957) is ethyl 4-[(2-amino-5-methylbenzoyl)amino]butanoate.
What is the SMILES notation for ethyl 4-[(2-amino-5-methylbenzoyl)amino]butanoate?
The canonical SMILES for ethyl 4-[(2-amino-5-methylbenzoyl)amino]butanoate is CCOC(=O)CCCNC(=O)c1cc(C)ccc1N.
What is the InChIKey of ethyl 4-[(2-amino-5-methylbenzoyl)amino]butanoate?
The InChIKey is VNQMFZXHZAKMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-19-13(17)5-4-8-16-14(18)11-9-10(2)6-7-12(11)15/h6-7,9H,3-5,8,15H2,1-2H3,(H,16,18).
What are the key properties of ethyl 4-[(2-amino-5-methylbenzoyl)amino]butanoate?
ethyl 4-[(2-amino-5-methylbenzoyl)amino]butanoate has a molecular weight of 264.32 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-amino-5-methylbenzoyl)amino]butanoate is sourced from PubChem (CID 64576957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).