N-[(4-benzylmorpholin-2-yl)methyl]-4-(3-chlorophenyl)oxane-4-carboxamide

C24H29ClN2O3 — CID 55997199

IUPACN-[(4-benzylmorpholin-2-yl)methyl]-4-(3-chlorophenyl)oxane-4-carboxamide
SMILESO=C(NCC1CN(Cc2ccccc2)CCO1)C1(c2cccc(Cl)c2)CCOCC1
InChIInChI=1S/C24H29ClN2O3/c25-21-8-4-7-20(15-21)24(9-12-29-13-10-24)23(28)26-16-22-18-27(11-14-30-22)17-19-5-2-1-3-6-19/h1-8,15,22H,9-14,16-18H2,(H,26,28)
InChIKeyPEOUSGBPGGSQQZ-UHFFFAOYSA-N
MW428.96 g/mol
LogP3.41
Rot. Bonds6

About N-[(4-benzylmorpholin-2-yl)methyl]-4-(3-chlorophenyl)oxane-4-carboxamide

N-[(4-benzylmorpholin-2-yl)methyl]-4-(3-chlorophenyl)oxane-4-carboxamide (PubChem CID 55997199) has the molecular formula C24H29ClN2O3 and a molecular weight of 428.96 g/mol. Its IUPAC name is N-[(4-benzylmorpholin-2-yl)methyl]-4-(3-chlorophenyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-[(4-benzylmorpholin-2-yl)methyl]-4-(3-chlorophenyl)oxane-4-carboxamide
PubChem CID55997199
Molecular FormulaC24H29ClN2O3
Molecular Weight428.96 g/mol
Exact Mass428.19
IUPAC NameN-[(4-benzylmorpholin-2-yl)methyl]-4-(3-chlorophenyl)oxane-4-carboxamide
SMILESO=C(NCC1CN(Cc2ccccc2)CCO1)C1(c2cccc(Cl)c2)CCOCC1
InChIInChI=1S/C24H29ClN2O3/c25-21-8-4-7-20(15-21)24(9-12-29-13-10-24)23(28)26-16-22-18-27(11-14-30-22)17-19-5-2-1-3-6-19/h1-8,15,22H,9-14,16-18H2,(H,26,28)
InChIKeyPEOUSGBPGGSQQZ-UHFFFAOYSA-N
XLogP3.41
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.96
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
1-[(4-chlorophenyl)methyl]-3-[[4-[(3-iodophenyl)methyl]morpholin-2-yl]methyl]urea
CID 10278623
N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-2,2-diphenylacetamide
CID 8504076
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(3-chlorophenyl)oxane-4-carboxamide
CID 55997942
(2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]-3-phenylpropanamide
CID 119829842
(2R)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]propanamide
CID 119829876
(2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]propanamide
CID 119829898
N-[(4-benzylmorpholin-2-yl)methyl]-3-methylbutanamide
CID 134057519
N-[(4-methylmorpholin-2-yl)methyl]-1-phenylcyclobutane-1-carboxamide
CID 49094024
2-amino-N-[(4-benzylmorpholin-2-yl)methyl]butanediamide;dihydrochloride
CID 119957852
N-[(4-benzylmorpholin-2-yl)methyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide
CID 78790947
N-[(4-benzylmorpholin-2-yl)methyl]pyridine-4-carboxamide
CID 43019906

Frequently Asked Questions

What is the IUPAC name of N-[(4-benzylmorpholin-2-yl)methyl]-4-(3-chlorophenyl)oxane-4-carboxamide?
The IUPAC name of N-[(4-benzylmorpholin-2-yl)methyl]-4-(3-chlorophenyl)oxane-4-carboxamide (CID 55997199) is N-[(4-benzylmorpholin-2-yl)methyl]-4-(3-chlorophenyl)oxane-4-carboxamide.
What is the SMILES notation for N-[(4-benzylmorpholin-2-yl)methyl]-4-(3-chlorophenyl)oxane-4-carboxamide?
The canonical SMILES for N-[(4-benzylmorpholin-2-yl)methyl]-4-(3-chlorophenyl)oxane-4-carboxamide is O=C(NCC1CN(Cc2ccccc2)CCO1)C1(c2cccc(Cl)c2)CCOCC1.
What is the InChIKey of N-[(4-benzylmorpholin-2-yl)methyl]-4-(3-chlorophenyl)oxane-4-carboxamide?
The InChIKey is PEOUSGBPGGSQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN2O3/c25-21-8-4-7-20(15-21)24(9-12-29-13-10-24)23(28)26-16-22-18-27(11-14-30-22)17-19-5-2-1-3-6-19/h1-8,15,22H,9-14,16-18H2,(H,26,28).
What are the key properties of N-[(4-benzylmorpholin-2-yl)methyl]-4-(3-chlorophenyl)oxane-4-carboxamide?
N-[(4-benzylmorpholin-2-yl)methyl]-4-(3-chlorophenyl)oxane-4-carboxamide has a molecular weight of 428.96 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-benzylmorpholin-2-yl)methyl]-4-(3-chlorophenyl)oxane-4-carboxamide is sourced from PubChem (CID 55997199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).