methyl 3-[ethyl-[2-(3-methoxyphenyl)acetyl]amino]propanoate

C15H21NO4 — CID 61009469

IUPACmethyl 3-[ethyl-[2-(3-methoxyphenyl)acetyl]amino]propanoate
SMILESCCN(CCC(=O)OC)C(=O)Cc1cccc(OC)c1
InChIInChI=1S/C15H21NO4/c1-4-16(9-8-15(18)20-3)14(17)11-12-6-5-7-13(10-12)19-2/h5-7,10H,4,8-9,11H2,1-3H3
InChIKeyXJFZHDXQNSQNGC-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.65
Rot. Bonds7

About methyl 3-[ethyl-[2-(3-methoxyphenyl)acetyl]amino]propanoate

methyl 3-[ethyl-[2-(3-methoxyphenyl)acetyl]amino]propanoate (PubChem CID 61009469) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl 3-[ethyl-[2-(3-methoxyphenyl)acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[ethyl-[2-(3-methoxyphenyl)acetyl]amino]propanoate
PubChem CID61009469
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Namemethyl 3-[ethyl-[2-(3-methoxyphenyl)acetyl]amino]propanoate
SMILESCCN(CCC(=O)OC)C(=O)Cc1cccc(OC)c1
InChIInChI=1S/C15H21NO4/c1-4-16(9-8-15(18)20-3)14(17)11-12-6-5-7-13(10-12)19-2/h5-7,10H,4,8-9,11H2,1-3H3
InChIKeyXJFZHDXQNSQNGC-UHFFFAOYSA-N
XLogP1.65
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-[ethyl-[2-(3-methoxyphenyl)acetyl]amino]propanoate 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

N-(2-chloroethyl)-N-ethyl-2-(3-methoxyphenyl)acetamide
CID 63395047
methyl 6-[3-[2-(diethylamino)-2-oxoethyl]phenoxy]hexanoate
CID 91465715
3-[ethyl-[(3-methoxyphenyl)methyl-methylcarbamoyl]amino]propanoic acid
CID 61417820
N,N-bis(2-cyanoethyl)-2-(3-methoxyphenyl)acetamide
CID 51185583
N,N-diethyl-2-[(3-methoxyphenyl)methylamino]acetamide
CID 60690684
3-[ethyl-[2-(3-methoxy-4-methylphenyl)acetyl]amino]propanoic acid
CID 61008101
N-benzyl-2-(3-methoxyphenyl)-N-(2-phenylethyl)acetamide
CID 55331004
N-(2-chloroethyl)-N-(2-methoxyethyl)-2-(3-methoxyphenyl)acetamide
CID 113468253
3-[ethyl-[2-(3-methoxyphenyl)ethylcarbamoyl]amino]propanoic acid
CID 107843104
N-ethyl-2-(3-methoxyphenyl)-N-[[(3S)-oxolan-3-yl]methyl]acetamide
CID 94186811
N-(1-hydroxypropan-2-yl)-2-(3-methoxyphenyl)-N-methylacetamide
CID 113337596
3-(3-methoxyphenyl)-N,N-dipropylpropanamide
CID 86913065

Frequently Asked Questions

What is the IUPAC name of methyl 3-[ethyl-[2-(3-methoxyphenyl)acetyl]amino]propanoate?
The IUPAC name of methyl 3-[ethyl-[2-(3-methoxyphenyl)acetyl]amino]propanoate (CID 61009469) is methyl 3-[ethyl-[2-(3-methoxyphenyl)acetyl]amino]propanoate.
What is the SMILES notation for methyl 3-[ethyl-[2-(3-methoxyphenyl)acetyl]amino]propanoate?
The canonical SMILES for methyl 3-[ethyl-[2-(3-methoxyphenyl)acetyl]amino]propanoate is CCN(CCC(=O)OC)C(=O)Cc1cccc(OC)c1.
What is the InChIKey of methyl 3-[ethyl-[2-(3-methoxyphenyl)acetyl]amino]propanoate?
The InChIKey is XJFZHDXQNSQNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-4-16(9-8-15(18)20-3)14(17)11-12-6-5-7-13(10-12)19-2/h5-7,10H,4,8-9,11H2,1-3H3.
What are the key properties of methyl 3-[ethyl-[2-(3-methoxyphenyl)acetyl]amino]propanoate?
methyl 3-[ethyl-[2-(3-methoxyphenyl)acetyl]amino]propanoate has a molecular weight of 279.34 g/mol, XLogP of 1.65, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[ethyl-[2-(3-methoxyphenyl)acetyl]amino]propanoate is sourced from PubChem (CID 61009469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).