N-[1-[1-(3,4-dichlorophenyl)cyclobutyl]ethyl]-N-(2-morpholin-4-ylethyl)acetamide

C20H28Cl2N2O2 — CID 13279957

IUPACN-[1-[1-(3,4-dichlorophenyl)cyclobutyl]ethyl]-N-(2-morpholin-4-ylethyl)acetamide
SMILESCC(=O)N(CCN1CCOCC1)C(C)C1(c2ccc(Cl)c(Cl)c2)CCC1
InChIInChI=1S/C20H28Cl2N2O2/c1-15(24(16(2)25)9-8-23-10-12-26-13-11-23)20(6-3-7-20)17-4-5-18(21)19(22)14-17/h4-5,14-15H,3,6-13H2,1-2H3
InChIKeyYTUIVYBABQADAC-UHFFFAOYSA-N
MW399.36 g/mol
LogP3.98
Rot. Bonds6

About N-[1-[1-(3,4-dichlorophenyl)cyclobutyl]ethyl]-N-(2-morpholin-4-ylethyl)acetamide

N-[1-[1-(3,4-dichlorophenyl)cyclobutyl]ethyl]-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 13279957) has the molecular formula C20H28Cl2N2O2 and a molecular weight of 399.36 g/mol. Its IUPAC name is N-[1-[1-(3,4-dichlorophenyl)cyclobutyl]ethyl]-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound NameN-[1-[1-(3,4-dichlorophenyl)cyclobutyl]ethyl]-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID13279957
Molecular FormulaC20H28Cl2N2O2
Molecular Weight399.36 g/mol
Exact Mass398.15
IUPAC NameN-[1-[1-(3,4-dichlorophenyl)cyclobutyl]ethyl]-N-(2-morpholin-4-ylethyl)acetamide
SMILESCC(=O)N(CCN1CCOCC1)C(C)C1(c2ccc(Cl)c(Cl)c2)CCC1
InChIInChI=1S/C20H28Cl2N2O2/c1-15(24(16(2)25)9-8-23-10-12-26-13-11-23)20(6-3-7-20)17-4-5-18(21)19(22)14-17/h4-5,14-15H,3,6-13H2,1-2H3
InChIKeyYTUIVYBABQADAC-UHFFFAOYSA-N
XLogP3.98
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.36
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-1-(cyclohexylmethyl)-5-(3,4-dichlorophenyl)-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one
CID 10929285
1-Cyclohexyl-5-(3,4-dichlorophenyl)-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one
CID 44366788
(S)-1-(1-Cyclopropyl-cyclopentyl)-5-(3,4-dichloro-phenyl)-5-[2-(3-morpholin-4-yl-azetidin-1-yl)-ethyl]-piperidin-2-one
CID 44392318
4-((1-(3,4-Dichlorophenyl)cyclohexyl)methyl)morpholine
CID 53323762
1-(Cyclopropylmethyl)-5-(3,4-dichlorophenyl)-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one
CID 9847362
(5S)-1-(cyclopropylmethyl)-5-(3,4-dichlorophenyl)-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one
CID 10972666
1-(Cyclohexylmethyl)-5-(3,4-dichlorophenyl)-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one
CID 11060266
(5R)-1-(cyclohexylmethyl)-5-(3,4-dichlorophenyl)-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one
CID 11103197
2-Cyclopropyl-1-{3-(3,4-dichloro-phenyl)-3-[2-(3-morpholin-4-yl-azetidin-1-yl)-ethyl]-pyrrolidin-1-yl}-ethanone
CID 44310284
5-(3,4-Dichlorophenyl)-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one
CID 11015129
4-Morpholineacetamide, N-(1-(3,4-dichlorophenyl)propyl)-
CID 3039075
2-(3,4-Dichlorophenyl)-1-[3-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone
CID 15730152

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(3,4-dichlorophenyl)cyclobutyl]ethyl]-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of N-[1-[1-(3,4-dichlorophenyl)cyclobutyl]ethyl]-N-(2-morpholin-4-ylethyl)acetamide (CID 13279957) is N-[1-[1-(3,4-dichlorophenyl)cyclobutyl]ethyl]-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for N-[1-[1-(3,4-dichlorophenyl)cyclobutyl]ethyl]-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for N-[1-[1-(3,4-dichlorophenyl)cyclobutyl]ethyl]-N-(2-morpholin-4-ylethyl)acetamide is CC(=O)N(CCN1CCOCC1)C(C)C1(c2ccc(Cl)c(Cl)c2)CCC1.
What is the InChIKey of N-[1-[1-(3,4-dichlorophenyl)cyclobutyl]ethyl]-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is YTUIVYBABQADAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28Cl2N2O2/c1-15(24(16(2)25)9-8-23-10-12-26-13-11-23)20(6-3-7-20)17-4-5-18(21)19(22)14-17/h4-5,14-15H,3,6-13H2,1-2H3.
What are the key properties of N-[1-[1-(3,4-dichlorophenyl)cyclobutyl]ethyl]-N-(2-morpholin-4-ylethyl)acetamide?
N-[1-[1-(3,4-dichlorophenyl)cyclobutyl]ethyl]-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 399.36 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(3,4-dichlorophenyl)cyclobutyl]ethyl]-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 13279957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).