2-(hydroxymethyl)-N,N-diphenylmorpholine-4-carboxamide

C18H20N2O3 — CID 75476548

IUPAC2-(hydroxymethyl)-N,N-diphenylmorpholine-4-carboxamide
SMILESO=C(N1CCOC(CO)C1)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20N2O3/c21-14-17-13-19(11-12-23-17)18(22)20(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17,21H,11-14H2
InChIKeySHYPKELKAHFNLM-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.64
Rot. Bonds3

About 2-(hydroxymethyl)-N,N-diphenylmorpholine-4-carboxamide

2-(hydroxymethyl)-N,N-diphenylmorpholine-4-carboxamide (PubChem CID 75476548) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-(hydroxymethyl)-N,N-diphenylmorpholine-4-carboxamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-N,N-diphenylmorpholine-4-carboxamide
PubChem CID75476548
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name2-(hydroxymethyl)-N,N-diphenylmorpholine-4-carboxamide
SMILESO=C(N1CCOC(CO)C1)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20N2O3/c21-14-17-13-19(11-12-23-17)18(22)20(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17,21H,11-14H2
InChIKeySHYPKELKAHFNLM-UHFFFAOYSA-N
XLogP2.64
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl 2-(hydroxymethyl)morpholine-4-carboxylate
CID 81218922
(2R)-2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylethanone
CID 81203556
2-[2-(hydroxymethyl)morpholin-4-yl]-N-methyl-N-phenylacetamide
CID 79833459
2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylethanone
CID 81203547
2-[[2-(hydroxymethyl)morpholine-4-carbonyl]-methylamino]acetic acid
CID 81204430
N-(2-fluorophenyl)-2-(hydroxymethyl)morpholine-4-carboxamide
CID 79831251
(2-bromophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81203060
[2-(hydroxymethyl)morpholin-4-yl]-(1-phenylcyclopentyl)methanone
CID 81196589
N-[2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]benzamide
CID 81209103
1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylmethoxypropan-1-one
CID 81208321
2-[2-(hydroxymethyl)morpholine-4-carbonyl]-3,6-dimethylbenzoic acid
CID 103429192
2-[[2-(hydroxymethyl)morpholine-4-carbonyl]-methylamino]-2-methylpropanoic acid
CID 81204121

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-N,N-diphenylmorpholine-4-carboxamide?
The IUPAC name of 2-(hydroxymethyl)-N,N-diphenylmorpholine-4-carboxamide (CID 75476548) is 2-(hydroxymethyl)-N,N-diphenylmorpholine-4-carboxamide.
What is the SMILES notation for 2-(hydroxymethyl)-N,N-diphenylmorpholine-4-carboxamide?
The canonical SMILES for 2-(hydroxymethyl)-N,N-diphenylmorpholine-4-carboxamide is O=C(N1CCOC(CO)C1)N(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(hydroxymethyl)-N,N-diphenylmorpholine-4-carboxamide?
The InChIKey is SHYPKELKAHFNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c21-14-17-13-19(11-12-23-17)18(22)20(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17,21H,11-14H2.
What are the key properties of 2-(hydroxymethyl)-N,N-diphenylmorpholine-4-carboxamide?
2-(hydroxymethyl)-N,N-diphenylmorpholine-4-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-N,N-diphenylmorpholine-4-carboxamide is sourced from PubChem (CID 75476548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).