ethyl 2-(N-[3-(diethylcarbamoyl)phenyl]-3-methoxyanilino)propanoate

C23H30N2O4 — CID 70116013

IUPACethyl 2-(N-[3-(diethylcarbamoyl)phenyl]-3-methoxyanilino)propanoate
SMILESCCOC(=O)C(C)N(c1cccc(OC)c1)c1cccc(C(=O)N(CC)CC)c1
InChIInChI=1S/C23H30N2O4/c1-6-24(7-2)22(26)18-11-9-12-19(15-18)25(17(4)23(27)29-8-3)20-13-10-14-21(16-20)28-5/h9-17H,6-8H2,1-5H3
InChIKeyQAJKHBDNCYKLPN-UHFFFAOYSA-N
MW398.50 g/mol
LogP4.27
Rot. Bonds9

About ethyl 2-(N-[3-(diethylcarbamoyl)phenyl]-3-methoxyanilino)propanoate

ethyl 2-(N-[3-(diethylcarbamoyl)phenyl]-3-methoxyanilino)propanoate (PubChem CID 70116013) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is ethyl 2-(N-[3-(diethylcarbamoyl)phenyl]-3-methoxyanilino)propanoate.

Molecular Properties

Compound Nameethyl 2-(N-[3-(diethylcarbamoyl)phenyl]-3-methoxyanilino)propanoate
PubChem CID70116013
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC Nameethyl 2-(N-[3-(diethylcarbamoyl)phenyl]-3-methoxyanilino)propanoate
SMILESCCOC(=O)C(C)N(c1cccc(OC)c1)c1cccc(C(=O)N(CC)CC)c1
InChIInChI=1S/C23H30N2O4/c1-6-24(7-2)22(26)18-11-9-12-19(15-18)25(17(4)23(27)29-8-3)20-13-10-14-21(16-20)28-5/h9-17H,6-8H2,1-5H3
InChIKeyQAJKHBDNCYKLPN-UHFFFAOYSA-N
XLogP4.27
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-(N-[3-(diethylcarbamoyl)phenyl]-3-methoxyanilino)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

ethyl 2-(N-(3-methoxyphenyl)-4-nitroanilino)propanoate
CID 54411472
N,N-diethyl-4-[3-methoxy-N-(1-pyrrolidin-1-ylbutyl)anilino]benzamide
CID 70118988
3-methoxy-N,N-dipropylbenzamide
CID 669439
N-(2-bromoethyl)-N-ethyl-3-methoxybenzamide
CID 80659973
3-N,3-N-diethyl-1-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109055870
ethyl 2-hydroxy-3-(3-methoxy-N-methylanilino)-3-phenylpropanoate
CID 91311967
ethyl 2-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-methylamino]propanoate
CID 71853615
N-ethyl-3-methoxy-N-phenylbenzamide
CID 3345220
N-ethyl-3-methoxy-N-methylbenzamide
CID 15816607
N,N-diethyl-3-(3-methoxyphenyl)-2-methylpentanamide
CID 71250291
ethyl 2-amino-4-(3-methoxy-N-methylanilino)butanoate
CID 63055390
N-[4-(diethylcarbamoyl)phenyl]-3-methoxybenzamide
CID 7942192

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(N-[3-(diethylcarbamoyl)phenyl]-3-methoxyanilino)propanoate?
The IUPAC name of ethyl 2-(N-[3-(diethylcarbamoyl)phenyl]-3-methoxyanilino)propanoate (CID 70116013) is ethyl 2-(N-[3-(diethylcarbamoyl)phenyl]-3-methoxyanilino)propanoate.
What is the SMILES notation for ethyl 2-(N-[3-(diethylcarbamoyl)phenyl]-3-methoxyanilino)propanoate?
The canonical SMILES for ethyl 2-(N-[3-(diethylcarbamoyl)phenyl]-3-methoxyanilino)propanoate is CCOC(=O)C(C)N(c1cccc(OC)c1)c1cccc(C(=O)N(CC)CC)c1.
What is the InChIKey of ethyl 2-(N-[3-(diethylcarbamoyl)phenyl]-3-methoxyanilino)propanoate?
The InChIKey is QAJKHBDNCYKLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-6-24(7-2)22(26)18-11-9-12-19(15-18)25(17(4)23(27)29-8-3)20-13-10-14-21(16-20)28-5/h9-17H,6-8H2,1-5H3.
What are the key properties of ethyl 2-(N-[3-(diethylcarbamoyl)phenyl]-3-methoxyanilino)propanoate?
ethyl 2-(N-[3-(diethylcarbamoyl)phenyl]-3-methoxyanilino)propanoate has a molecular weight of 398.50 g/mol, XLogP of 4.27, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(N-[3-(diethylcarbamoyl)phenyl]-3-methoxyanilino)propanoate is sourced from PubChem (CID 70116013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).