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

C17H24ClN3O3 — CID 119867123

IUPACN-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]morpholine-3-carboxamide
SMILESO=C(NCC(c1ccc(Cl)cc1)N1CCOCC1)C1COCCN1
InChIInChI=1S/C17H24ClN3O3/c18-14-3-1-13(2-4-14)16(21-6-9-23-10-7-21)11-20-17(22)15-12-24-8-5-19-15/h1-4,15-16,19H,5-12H2,(H,20,22)
InChIKeyNQFPSXGIEUVWBK-UHFFFAOYSA-N
MW353.85 g/mol
LogP0.82
Rot. Bonds5

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

N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]morpholine-3-carboxamide (PubChem CID 119867123) has the molecular formula C17H24ClN3O3 and a molecular weight of 353.85 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]morpholine-3-carboxamide
PubChem CID119867123
Molecular FormulaC17H24ClN3O3
Molecular Weight353.85 g/mol
Exact Mass353.15
IUPAC NameN-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]morpholine-3-carboxamide
SMILESO=C(NCC(c1ccc(Cl)cc1)N1CCOCC1)C1COCCN1
InChIInChI=1S/C17H24ClN3O3/c18-14-3-1-13(2-4-14)16(21-6-9-23-10-7-21)11-20-17(22)15-12-24-8-5-19-15/h1-4,15-16,19H,5-12H2,(H,20,22)
InChIKeyNQFPSXGIEUVWBK-UHFFFAOYSA-N
XLogP0.82
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-phenyl-2-pyrrolidin-1-ylethyl)morpholine-3-carboxamide;dihydrochloride
CID 119831374
N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]morpholine-3-carboxamide;dihydrochloride
CID 119866459
N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]morpholine-3-carboxamide;dihydrochloride
CID 119860439
(2S,4S)-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120634641
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]oxolane-2-carboxamide
CID 112503792
1-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-(2-methylpropyl)urea
CID 110621889
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 47459894
(2R)-2-amino-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 119867147
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-fluorophenyl)acetamide
CID 112503799
1-[2-(4-chlorophenyl)ethyl]-3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]urea
CID 42928186
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-5-nitro-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 134028034
2-amino-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methylpropanamide
CID 119867125

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]morpholine-3-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]morpholine-3-carboxamide (CID 119867123) is N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]morpholine-3-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]morpholine-3-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]morpholine-3-carboxamide is O=C(NCC(c1ccc(Cl)cc1)N1CCOCC1)C1COCCN1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]morpholine-3-carboxamide?
The InChIKey is NQFPSXGIEUVWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O3/c18-14-3-1-13(2-4-14)16(21-6-9-23-10-7-21)11-20-17(22)15-12-24-8-5-19-15/h1-4,15-16,19H,5-12H2,(H,20,22).
What are the key properties of N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]morpholine-3-carboxamide?
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]morpholine-3-carboxamide has a molecular weight of 353.85 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]morpholine-3-carboxamide is sourced from PubChem (CID 119867123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).