ethyl 2-[[1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]amino]pentanoate

C22H34ClNO2 — CID 25050587

IUPACethyl 2-[[1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]amino]pentanoate
SMILESCCCC(NC(CC(C)C)C1(c2ccc(Cl)cc2)CCC1)C(=O)OCC
InChIInChI=1S/C22H34ClNO2/c1-5-8-19(21(25)26-6-2)24-20(15-16(3)4)22(13-7-14-22)17-9-11-18(23)12-10-17/h9-12,16,19-20,24H,5-8,13-15H2,1-4H3
InChIKeyDBSMDHFZYINHEW-UHFFFAOYSA-N
MW379.97 g/mol
LogP5.50
Rot. Bonds10

About ethyl 2-[[1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]amino]pentanoate

ethyl 2-[[1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]amino]pentanoate (PubChem CID 25050587) has the molecular formula C22H34ClNO2 and a molecular weight of 379.97 g/mol. Its IUPAC name is ethyl 2-[[1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]amino]pentanoate.

Molecular Properties

Compound Nameethyl 2-[[1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]amino]pentanoate
PubChem CID25050587
Molecular FormulaC22H34ClNO2
Molecular Weight379.97 g/mol
Exact Mass379.23
IUPAC Nameethyl 2-[[1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]amino]pentanoate
SMILESCCCC(NC(CC(C)C)C1(c2ccc(Cl)cc2)CCC1)C(=O)OCC
InChIInChI=1S/C22H34ClNO2/c1-5-8-19(21(25)26-6-2)24-20(15-16(3)4)22(13-7-14-22)17-9-11-18(23)12-10-17/h9-12,16,19-20,24H,5-8,13-15H2,1-4H3
InChIKeyDBSMDHFZYINHEW-UHFFFAOYSA-N
XLogP5.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.97
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2-[[1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]amino]pentanoate 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-amino-N-[1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]-3-methylpentanamide;hydrochloride
CID 67385551
(2R,3R)-2-amino-N-[(1S)-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]-3-methylpentanamide;hydrochloride
CID 67386599
2-amino-N-[1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]propanamide;hydrochloride
CID 46196257
2-[[1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]amino]ethyl 2-methylpropanoate
CID 56596094
1-[1-(4-chlorophenyl)cyclopentyl]-N,3-dimethylbutan-1-amine;ethane
CID 142145945
ethyl 2-[[1-[1-[4-(iodomethyl)phenyl]cyclobutyl]-3-methylbutyl]amino]acetate
CID 89406424
1-[1-(4-chlorophenyl)cyclobutyl]butan-1-amine
CID 13083249
3-[1-(4-chlorophenyl)cyclobutyl]-5-methylhexan-1-amine;2-methylpropane
CID 143085896
1-chloro-4-[1-(2-methyldecan-4-yl)cyclobutyl]benzene
CID 90899911
[(1R)-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]-dimethylselanium
CID 154066802
2-[[1-[1-(4-ethoxyphenyl)cyclobutyl]-3-methylbutyl]amino]ethyl butanoate
CID 56596243
4-[[1-[1-(4-ethoxyphenyl)cyclobutyl]-3-methylbutyl]amino]-2-ethylbutanamide
CID 66824346

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]amino]pentanoate?
The IUPAC name of ethyl 2-[[1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]amino]pentanoate (CID 25050587) is ethyl 2-[[1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]amino]pentanoate.
What is the SMILES notation for ethyl 2-[[1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]amino]pentanoate?
The canonical SMILES for ethyl 2-[[1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]amino]pentanoate is CCCC(NC(CC(C)C)C1(c2ccc(Cl)cc2)CCC1)C(=O)OCC.
What is the InChIKey of ethyl 2-[[1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]amino]pentanoate?
The InChIKey is DBSMDHFZYINHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34ClNO2/c1-5-8-19(21(25)26-6-2)24-20(15-16(3)4)22(13-7-14-22)17-9-11-18(23)12-10-17/h9-12,16,19-20,24H,5-8,13-15H2,1-4H3.
What are the key properties of ethyl 2-[[1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]amino]pentanoate?
ethyl 2-[[1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]amino]pentanoate has a molecular weight of 379.97 g/mol, XLogP of 5.50, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]amino]pentanoate is sourced from PubChem (CID 25050587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).