4-(4-chlorophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)oxane-4-carboxamide

C21H31ClN2O3 — CID 46978034

IUPAC4-(4-chlorophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)oxane-4-carboxamide
SMILESCC(C)C(CNC(=O)C1(c2ccc(Cl)cc2)CCOCC1)N1CCOCC1
InChIInChI=1S/C21H31ClN2O3/c1-16(2)19(24-9-13-27-14-10-24)15-23-20(25)21(7-11-26-12-8-21)17-3-5-18(22)6-4-17/h3-6,16,19H,7-15H2,1-2H3,(H,23,25)
InChIKeyFGQZQSGOHWJMLW-UHFFFAOYSA-N
MW394.94 g/mol
LogP2.86
Rot. Bonds6

About 4-(4-chlorophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)oxane-4-carboxamide

4-(4-chlorophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)oxane-4-carboxamide (PubChem CID 46978034) has the molecular formula C21H31ClN2O3 and a molecular weight of 394.94 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)oxane-4-carboxamide
PubChem CID46978034
Molecular FormulaC21H31ClN2O3
Molecular Weight394.94 g/mol
Exact Mass394.20
IUPAC Name4-(4-chlorophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)oxane-4-carboxamide
SMILESCC(C)C(CNC(=O)C1(c2ccc(Cl)cc2)CCOCC1)N1CCOCC1
InChIInChI=1S/C21H31ClN2O3/c1-16(2)19(24-9-13-27-14-10-24)15-23-20(25)21(7-11-26-12-8-21)17-3-5-18(22)6-4-17/h3-6,16,19H,7-15H2,1-2H3,(H,23,25)
InChIKeyFGQZQSGOHWJMLW-UHFFFAOYSA-N
XLogP2.86
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.94
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)cyclopropane-1-carboxamide
CID 134003398
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-phenylcyclobutane-1-carboxamide
CID 60596926
1-[(4-chlorophenyl)methyl]-2-methyl-3-(3-methyl-2-morpholin-4-ylbutyl)guanidine
CID 111131390
4-(4-chlorophenyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)oxane-4-carboxamide
CID 46978027
1-(4-bromophenyl)-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]cyclobutane-1-carboxamide
CID 112823540
6-chloro-N-(3-methyl-2-morpholin-4-ylbutyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 46974526
6-chloro-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 92627195
4-chloro-N-[2-[[N'-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111930871
4-amino-N-(3-methyl-2-pyrrolidin-1-ylbutyl)oxane-4-carboxamide
CID 115294618
2,4-dichloro-N-[(2S)-3-methyl-1-[[(2S)-3-methyl-2-morpholin-4-ylbutyl]amino]-1-oxobutan-2-yl]benzamide
CID 25497250
2,4-dichloro-N-[(2R)-3-methyl-1-[[(2S)-3-methyl-2-morpholin-4-ylbutyl]amino]-1-oxobutan-2-yl]benzamide
CID 25497257
2-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)benzamide
CID 110402733

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)oxane-4-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)oxane-4-carboxamide (CID 46978034) is 4-(4-chlorophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)oxane-4-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)oxane-4-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)oxane-4-carboxamide is CC(C)C(CNC(=O)C1(c2ccc(Cl)cc2)CCOCC1)N1CCOCC1.
What is the InChIKey of 4-(4-chlorophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)oxane-4-carboxamide?
The InChIKey is FGQZQSGOHWJMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31ClN2O3/c1-16(2)19(24-9-13-27-14-10-24)15-23-20(25)21(7-11-26-12-8-21)17-3-5-18(22)6-4-17/h3-6,16,19H,7-15H2,1-2H3,(H,23,25).
What are the key properties of 4-(4-chlorophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)oxane-4-carboxamide?
4-(4-chlorophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)oxane-4-carboxamide has a molecular weight of 394.94 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)oxane-4-carboxamide is sourced from PubChem (CID 46978034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).