[2-(3-ethylanilino)-2-oxoethyl] 3-(phenylcarbamoylamino)propanoate

C20H23N3O4 — CID 7805318

IUPAC[2-(3-ethylanilino)-2-oxoethyl] 3-(phenylcarbamoylamino)propanoate
SMILESCCc1cccc(NC(=O)COC(=O)CCNC(=O)Nc2ccccc2)c1
InChIInChI=1S/C20H23N3O4/c1-2-15-7-6-10-17(13-15)22-18(24)14-27-19(25)11-12-21-20(26)23-16-8-4-3-5-9-16/h3-10,13H,2,11-12,14H2,1H3,(H,22,24)(H2,21,23,26)
InChIKeyRVBNKSXOVVPJDC-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.94
Rot. Bonds8

About [2-(3-ethylanilino)-2-oxoethyl] 3-(phenylcarbamoylamino)propanoate

[2-(3-ethylanilino)-2-oxoethyl] 3-(phenylcarbamoylamino)propanoate (PubChem CID 7805318) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is [2-(3-ethylanilino)-2-oxoethyl] 3-(phenylcarbamoylamino)propanoate.

Molecular Properties

Compound Name[2-(3-ethylanilino)-2-oxoethyl] 3-(phenylcarbamoylamino)propanoate
PubChem CID7805318
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name[2-(3-ethylanilino)-2-oxoethyl] 3-(phenylcarbamoylamino)propanoate
SMILESCCc1cccc(NC(=O)COC(=O)CCNC(=O)Nc2ccccc2)c1
InChIInChI=1S/C20H23N3O4/c1-2-15-7-6-10-17(13-15)22-18(24)14-27-19(25)11-12-21-20(26)23-16-8-4-3-5-9-16/h3-10,13H,2,11-12,14H2,1H3,(H,22,24)(H2,21,23,26)
InChIKeyRVBNKSXOVVPJDC-UHFFFAOYSA-N
XLogP2.94
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [2-(3-ethylanilino)-2-oxoethyl] 3-(phenylcarbamoylamino)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

[2-(3-ethylanilino)-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 8734350
[2-(3-ethylanilino)-2-oxoethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 8946868
[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 3-(phenylcarbamoylamino)propanoate
CID 7805374
[2-(3-ethylanilino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 8019117
(3-chlorophenyl)methyl 3-(phenylcarbamoylamino)propanoate
CID 7805492
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-(phenylcarbamoylamino)propanoate
CID 7805358
[2-(3-ethylanilino)-2-oxoethyl] 2-[(2-iodobenzoyl)amino]acetate
CID 55307635
[2-(3-ethylanilino)-2-oxoethyl] 4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoate
CID 18229917
[2-(3-ethylanilino)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
CID 8573254
2-methoxyethyl 3-(phenylcarbamoylamino)propanoate
CID 42242981
[2-(3-ethylanilino)-2-oxoethyl] 2-benzoylbenzoate
CID 7764296
[2-(3-ethylanilino)-2-oxoethyl] 2-ethoxybenzoate
CID 8606058

Frequently Asked Questions

What is the IUPAC name of [2-(3-ethylanilino)-2-oxoethyl] 3-(phenylcarbamoylamino)propanoate?
The IUPAC name of [2-(3-ethylanilino)-2-oxoethyl] 3-(phenylcarbamoylamino)propanoate (CID 7805318) is [2-(3-ethylanilino)-2-oxoethyl] 3-(phenylcarbamoylamino)propanoate.
What is the SMILES notation for [2-(3-ethylanilino)-2-oxoethyl] 3-(phenylcarbamoylamino)propanoate?
The canonical SMILES for [2-(3-ethylanilino)-2-oxoethyl] 3-(phenylcarbamoylamino)propanoate is CCc1cccc(NC(=O)COC(=O)CCNC(=O)Nc2ccccc2)c1.
What is the InChIKey of [2-(3-ethylanilino)-2-oxoethyl] 3-(phenylcarbamoylamino)propanoate?
The InChIKey is RVBNKSXOVVPJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-2-15-7-6-10-17(13-15)22-18(24)14-27-19(25)11-12-21-20(26)23-16-8-4-3-5-9-16/h3-10,13H,2,11-12,14H2,1H3,(H,22,24)(H2,21,23,26).
What are the key properties of [2-(3-ethylanilino)-2-oxoethyl] 3-(phenylcarbamoylamino)propanoate?
[2-(3-ethylanilino)-2-oxoethyl] 3-(phenylcarbamoylamino)propanoate has a molecular weight of 369.42 g/mol, XLogP of 2.94, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-ethylanilino)-2-oxoethyl] 3-(phenylcarbamoylamino)propanoate is sourced from PubChem (CID 7805318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).