ethyl 3-[(5-chloro-2,4-dimethoxyphenyl)carbamoylamino]butanoate

C15H21ClN2O5 — CID 3289741

IUPACethyl 3-[(5-chloro-2,4-dimethoxyphenyl)carbamoylamino]butanoate
SMILESCCOC(=O)CC(C)NC(=O)Nc1cc(Cl)c(OC)cc1OC
InChIInChI=1S/C15H21ClN2O5/c1-5-23-14(19)6-9(2)17-15(20)18-11-7-10(16)12(21-3)8-13(11)22-4/h7-9H,5-6H2,1-4H3,(H2,17,18,20)
InChIKeyBERIEDXKLDWCJD-UHFFFAOYSA-N
MW344.80 g/mol
LogP2.82
Rot. Bonds7

About ethyl 3-[(5-chloro-2,4-dimethoxyphenyl)carbamoylamino]butanoate

ethyl 3-[(5-chloro-2,4-dimethoxyphenyl)carbamoylamino]butanoate (PubChem CID 3289741) has the molecular formula C15H21ClN2O5 and a molecular weight of 344.80 g/mol. Its IUPAC name is ethyl 3-[(5-chloro-2,4-dimethoxyphenyl)carbamoylamino]butanoate.

Molecular Properties

Compound Nameethyl 3-[(5-chloro-2,4-dimethoxyphenyl)carbamoylamino]butanoate
PubChem CID3289741
Molecular FormulaC15H21ClN2O5
Molecular Weight344.80 g/mol
Exact Mass344.11
IUPAC Nameethyl 3-[(5-chloro-2,4-dimethoxyphenyl)carbamoylamino]butanoate
SMILESCCOC(=O)CC(C)NC(=O)Nc1cc(Cl)c(OC)cc1OC
InChIInChI=1S/C15H21ClN2O5/c1-5-23-14(19)6-9(2)17-15(20)18-11-7-10(16)12(21-3)8-13(11)22-4/h7-9H,5-6H2,1-4H3,(H2,17,18,20)
InChIKeyBERIEDXKLDWCJD-UHFFFAOYSA-N
XLogP2.82
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 3-[(5-chloro-2,4-dimethoxyphenyl)carbamoylamino]butanoate 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 (3R)-3-[(2,5-dichlorophenyl)carbamoylamino]butanoate
CID 96542158
1-(4,5-dichloro-2-methoxyphenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 99833156
ethyl 2-(5-chloro-2,4-dimethoxyanilino)acetate
CID 28576135
(2S,3S)-2-amino-N-(5-chloro-2,4-dimethoxyphenyl)-3-methylpentanamide
CID 28515111
3-amino-N-(5-chloro-2,4-dimethoxyphenyl)butanamide
CID 60836807
(2S)-3-[(5-chloro-2,4-dimethoxyphenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 107837958
N-(5-chloro-2,4-dimethoxyphenyl)-2-(methylamino)propanamide
CID 62639099
ethyl (3R)-3-[(2-chloro-3-pyridinyl)carbamoylamino]butanoate
CID 96542162
2-amino-N-(5-chloro-2,4-dimethoxyphenyl)acetamide
CID 24690060
3-(aminomethyl)-N-(5-chloro-2,4-dimethoxyphenyl)pentanamide
CID 81070242
1-(5-chloro-2,4-dimethoxyphenyl)-3-[(1S)-1-thiophen-2-ylethyl]urea
CID 29023179
ethyl 2-(4-chloro-2,5-dimethoxyanilino)-2-oxoacetate
CID 3311966

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(5-chloro-2,4-dimethoxyphenyl)carbamoylamino]butanoate?
The IUPAC name of ethyl 3-[(5-chloro-2,4-dimethoxyphenyl)carbamoylamino]butanoate (CID 3289741) is ethyl 3-[(5-chloro-2,4-dimethoxyphenyl)carbamoylamino]butanoate.
What is the SMILES notation for ethyl 3-[(5-chloro-2,4-dimethoxyphenyl)carbamoylamino]butanoate?
The canonical SMILES for ethyl 3-[(5-chloro-2,4-dimethoxyphenyl)carbamoylamino]butanoate is CCOC(=O)CC(C)NC(=O)Nc1cc(Cl)c(OC)cc1OC.
What is the InChIKey of ethyl 3-[(5-chloro-2,4-dimethoxyphenyl)carbamoylamino]butanoate?
The InChIKey is BERIEDXKLDWCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O5/c1-5-23-14(19)6-9(2)17-15(20)18-11-7-10(16)12(21-3)8-13(11)22-4/h7-9H,5-6H2,1-4H3,(H2,17,18,20).
What are the key properties of ethyl 3-[(5-chloro-2,4-dimethoxyphenyl)carbamoylamino]butanoate?
ethyl 3-[(5-chloro-2,4-dimethoxyphenyl)carbamoylamino]butanoate has a molecular weight of 344.80 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(5-chloro-2,4-dimethoxyphenyl)carbamoylamino]butanoate is sourced from PubChem (CID 3289741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).