N-[2-(4-chlorophenyl)-2-ethylbutyl]morpholine-3-carboxamide

C17H25ClN2O2 — CID 119768492

IUPACN-[2-(4-chlorophenyl)-2-ethylbutyl]morpholine-3-carboxamide
SMILESCCC(CC)(CNC(=O)C1COCCN1)c1ccc(Cl)cc1
InChIInChI=1S/C17H25ClN2O2/c1-3-17(4-2,13-5-7-14(18)8-6-13)12-20-16(21)15-11-22-10-9-19-15/h5-8,15,19H,3-4,9-12H2,1-2H3,(H,20,21)
InChIKeyILMFVNIQLUJYKP-UHFFFAOYSA-N
MW324.85 g/mol
LogP2.50
Rot. Bonds6

About N-[2-(4-chlorophenyl)-2-ethylbutyl]morpholine-3-carboxamide

N-[2-(4-chlorophenyl)-2-ethylbutyl]morpholine-3-carboxamide (PubChem CID 119768492) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-ethylbutyl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-ethylbutyl]morpholine-3-carboxamide
PubChem CID119768492
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC NameN-[2-(4-chlorophenyl)-2-ethylbutyl]morpholine-3-carboxamide
SMILESCCC(CC)(CNC(=O)C1COCCN1)c1ccc(Cl)cc1
InChIInChI=1S/C17H25ClN2O2/c1-3-17(4-2,13-5-7-14(18)8-6-13)12-20-16(21)15-11-22-10-9-19-15/h5-8,15,19H,3-4,9-12H2,1-2H3,(H,20,21)
InChIKeyILMFVNIQLUJYKP-UHFFFAOYSA-N
XLogP2.50
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethyl-2-phenylbutyl)morpholine-3-carboxamide;hydrochloride
CID 119808337
(3R)-N-ethylmorpholine-3-carboxamide
CID 96578732
N-[(4-tert-butylphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119707397
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]morpholine-3-carboxamide;hydrochloride
CID 119777591
N-(2-methyl-2-methylsulfanylpropyl)morpholine-3-carboxamide
CID 115739814
N-[2-(3,5-dichlorophenyl)ethyl]morpholine-3-carboxamide
CID 119752644
N-(5-hydroxy-2,2-dimethylpentyl)morpholine-3-carboxamide
CID 114150111
N-(4-methoxy-2,2-dimethylbutyl)morpholine-3-carboxamide
CID 114125129
N-[2-(4-ethylphenyl)ethyl]morpholine-3-carboxamide
CID 115177646
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]morpholine-3-carboxamide
CID 119867123
methyl 2,2-dimethyl-3-(morpholine-3-carbonylamino)propanoate
CID 119789338
N-[2-(4-chlorophenyl)-2-methylpropyl]piperidine-2-carboxamide
CID 119297349

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-ethylbutyl]morpholine-3-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-ethylbutyl]morpholine-3-carboxamide (CID 119768492) is N-[2-(4-chlorophenyl)-2-ethylbutyl]morpholine-3-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-ethylbutyl]morpholine-3-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-ethylbutyl]morpholine-3-carboxamide is CCC(CC)(CNC(=O)C1COCCN1)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-ethylbutyl]morpholine-3-carboxamide?
The InChIKey is ILMFVNIQLUJYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O2/c1-3-17(4-2,13-5-7-14(18)8-6-13)12-20-16(21)15-11-22-10-9-19-15/h5-8,15,19H,3-4,9-12H2,1-2H3,(H,20,21).
What are the key properties of N-[2-(4-chlorophenyl)-2-ethylbutyl]morpholine-3-carboxamide?
N-[2-(4-chlorophenyl)-2-ethylbutyl]morpholine-3-carboxamide has a molecular weight of 324.85 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-ethylbutyl]morpholine-3-carboxamide is sourced from PubChem (CID 119768492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).