(3S)-3-(hydroxymethyl)-N-(2-methyl-3-phenylmethoxypropyl)morpholine-4-carboxamide

C17H26N2O4 — CID 122154833

IUPAC(3S)-3-(hydroxymethyl)-N-(2-methyl-3-phenylmethoxypropyl)morpholine-4-carboxamide
SMILESCC(CNC(=O)N1CCOC[C@@H]1CO)COCc1ccccc1
InChIInChI=1S/C17H26N2O4/c1-14(11-23-12-15-5-3-2-4-6-15)9-18-17(21)19-7-8-22-13-16(19)10-20/h2-6,14,16,20H,7-13H2,1H3,(H,18,21)/t14?,16-/m0/s1
InChIKeyLSXDBOOSFWFKNS-WMCAAGNKSA-N
MW322.40 g/mol
LogP1.24
Rot. Bonds7

About (3S)-3-(hydroxymethyl)-N-(2-methyl-3-phenylmethoxypropyl)morpholine-4-carboxamide

(3S)-3-(hydroxymethyl)-N-(2-methyl-3-phenylmethoxypropyl)morpholine-4-carboxamide (PubChem CID 122154833) has the molecular formula C17H26N2O4 and a molecular weight of 322.40 g/mol. Its IUPAC name is (3S)-3-(hydroxymethyl)-N-(2-methyl-3-phenylmethoxypropyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(3S)-3-(hydroxymethyl)-N-(2-methyl-3-phenylmethoxypropyl)morpholine-4-carboxamide
PubChem CID122154833
Molecular FormulaC17H26N2O4
Molecular Weight322.40 g/mol
Exact Mass322.19
IUPAC Name(3S)-3-(hydroxymethyl)-N-(2-methyl-3-phenylmethoxypropyl)morpholine-4-carboxamide
SMILESCC(CNC(=O)N1CCOC[C@@H]1CO)COCc1ccccc1
InChIInChI=1S/C17H26N2O4/c1-14(11-23-12-15-5-3-2-4-6-15)9-18-17(21)19-7-8-22-13-16(19)10-20/h2-6,14,16,20H,7-13H2,1H3,(H,18,21)/t14?,16-/m0/s1
InChIKeyLSXDBOOSFWFKNS-WMCAAGNKSA-N
XLogP1.24
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-[3-(hydroxymethyl)morpholin-4-yl]-1-oxo-3-phenylmethoxypropan-2-yl] N-tert-butylcarbamate
CID 174666378
tert-butyl N-[(2R)-1-[3-(hydroxymethyl)morpholin-4-yl]-1-oxo-3-phenylmethoxypropan-2-yl]carbamate
CID 67969437
3-ethyl-N-(2-methyl-3-thiophen-2-ylpropyl)morpholine-4-carboxamide
CID 71867990
(3S)-3-ethyl-N-[(2R)-2-methyl-3-thiophen-2-ylpropyl]morpholine-4-carboxamide
CID 95967466
benzyl (3R)-3-(aminomethyl)morpholine-4-carboxylate
CID 91666877
2-hydroxy-N-(2-methyl-3-phenylmethoxypropyl)cyclopentane-1-carboxamide
CID 110015433
tert-butyl (3S)-3-(phenylmethoxymethyl)morpholine-4-carboxylate
CID 20648537
2-(methylamino)-N-(2-methyl-3-phenylmethoxypropyl)acetamide
CID 119750653
[(3R)-3-(hydroxymethyl)morpholin-4-yl]-phenylmethanone;hydrochloride
CID 118953500
2-methyl-3-(methylamino)-N-(2-methyl-3-phenylmethoxypropyl)propanamide;hydrochloride
CID 119750664
(3S)-3-(2-methylpropyl)-N-phenylmorpholine-4-carboxamide
CID 95904890
2-hydroxy-4-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]butanoic acid
CID 114007756

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(hydroxymethyl)-N-(2-methyl-3-phenylmethoxypropyl)morpholine-4-carboxamide?
The IUPAC name of (3S)-3-(hydroxymethyl)-N-(2-methyl-3-phenylmethoxypropyl)morpholine-4-carboxamide (CID 122154833) is (3S)-3-(hydroxymethyl)-N-(2-methyl-3-phenylmethoxypropyl)morpholine-4-carboxamide.
What is the SMILES notation for (3S)-3-(hydroxymethyl)-N-(2-methyl-3-phenylmethoxypropyl)morpholine-4-carboxamide?
The canonical SMILES for (3S)-3-(hydroxymethyl)-N-(2-methyl-3-phenylmethoxypropyl)morpholine-4-carboxamide is CC(CNC(=O)N1CCOC[C@@H]1CO)COCc1ccccc1.
What is the InChIKey of (3S)-3-(hydroxymethyl)-N-(2-methyl-3-phenylmethoxypropyl)morpholine-4-carboxamide?
The InChIKey is LSXDBOOSFWFKNS-WMCAAGNKSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-14(11-23-12-15-5-3-2-4-6-15)9-18-17(21)19-7-8-22-13-16(19)10-20/h2-6,14,16,20H,7-13H2,1H3,(H,18,21)/t14?,16-/m0/s1.
What are the key properties of (3S)-3-(hydroxymethyl)-N-(2-methyl-3-phenylmethoxypropyl)morpholine-4-carboxamide?
(3S)-3-(hydroxymethyl)-N-(2-methyl-3-phenylmethoxypropyl)morpholine-4-carboxamide has a molecular weight of 322.40 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(hydroxymethyl)-N-(2-methyl-3-phenylmethoxypropyl)morpholine-4-carboxamide is sourced from PubChem (CID 122154833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).