N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2,2,6-trimethylmorpholine-4-carboxamide

C20H29ClN2O3 — CID 48713605

IUPACN-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2,2,6-trimethylmorpholine-4-carboxamide
SMILESCC1CN(C(=O)NCC2(c3cccc(Cl)c3)CCOCC2)CC(C)(C)O1
InChIInChI=1S/C20H29ClN2O3/c1-15-12-23(14-19(2,3)26-15)18(24)22-13-20(7-9-25-10-8-20)16-5-4-6-17(21)11-16/h4-6,11,15H,7-10,12-14H2,1-3H3,(H,22,24)
InChIKeyCVTCBABHSYOJFK-UHFFFAOYSA-N
MW380.92 g/mol
LogP3.60
Rot. Bonds3

About N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2,2,6-trimethylmorpholine-4-carboxamide

N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2,2,6-trimethylmorpholine-4-carboxamide (PubChem CID 48713605) has the molecular formula C20H29ClN2O3 and a molecular weight of 380.92 g/mol. Its IUPAC name is N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2,2,6-trimethylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2,2,6-trimethylmorpholine-4-carboxamide
PubChem CID48713605
Molecular FormulaC20H29ClN2O3
Molecular Weight380.92 g/mol
Exact Mass380.19
IUPAC NameN-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2,2,6-trimethylmorpholine-4-carboxamide
SMILESCC1CN(C(=O)NCC2(c3cccc(Cl)c3)CCOCC2)CC(C)(C)O1
InChIInChI=1S/C20H29ClN2O3/c1-15-12-23(14-19(2,3)26-15)18(24)22-13-20(7-9-25-10-8-20)16-5-4-6-17(21)11-16/h4-6,11,15H,7-10,12-14H2,1-3H3,(H,22,24)
InChIKeyCVTCBABHSYOJFK-UHFFFAOYSA-N
XLogP3.60
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.92
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-methylbutanamide
CID 94643933
(2S,4S)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-methylpiperidine-4-carboxamide
CID 120625684
(2R)-2-amino-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]propanamide;hydrochloride
CID 119303940
2-(4-chlorophenyl)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-hydroxyacetamide
CID 139008870
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-9H-xanthene-9-carboxamide
CID 56581269
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-5-methylpyrazine-2-carboxamide
CID 51091950
(2S)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-ethoxybutanamide
CID 94669671
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]morpholine-3-carboxamide
CID 119749884
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]pyrrolidine-3-carboxamide
CID 119749930
2-amino-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-3-methylpentanamide
CID 119749920
N-[[1-(3-chlorophenyl)cyclopropyl]methyl]propanamide
CID 110441339
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-methylpropan-2-amine
CID 62595127

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2,2,6-trimethylmorpholine-4-carboxamide?
The IUPAC name of N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2,2,6-trimethylmorpholine-4-carboxamide (CID 48713605) is N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2,2,6-trimethylmorpholine-4-carboxamide.
What is the SMILES notation for N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2,2,6-trimethylmorpholine-4-carboxamide?
The canonical SMILES for N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2,2,6-trimethylmorpholine-4-carboxamide is CC1CN(C(=O)NCC2(c3cccc(Cl)c3)CCOCC2)CC(C)(C)O1.
What is the InChIKey of N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2,2,6-trimethylmorpholine-4-carboxamide?
The InChIKey is CVTCBABHSYOJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN2O3/c1-15-12-23(14-19(2,3)26-15)18(24)22-13-20(7-9-25-10-8-20)16-5-4-6-17(21)11-16/h4-6,11,15H,7-10,12-14H2,1-3H3,(H,22,24).
What are the key properties of N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2,2,6-trimethylmorpholine-4-carboxamide?
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2,2,6-trimethylmorpholine-4-carboxamide has a molecular weight of 380.92 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2,2,6-trimethylmorpholine-4-carboxamide is sourced from PubChem (CID 48713605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).