2-(4-methylphenyl)-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]acetamide

C19H28N2O3 — CID 94150138

IUPAC2-(4-methylphenyl)-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]acetamide
SMILESCc1ccc(CC(=O)NC[C@@H]([C@@H]2CCOC2)N2CCOCC2)cc1
InChIInChI=1S/C19H28N2O3/c1-15-2-4-16(5-3-15)12-19(22)20-13-18(17-6-9-24-14-17)21-7-10-23-11-8-21/h2-5,17-18H,6-14H2,1H3,(H,20,22)/t17-,18+/m1/s1
InChIKeyKBZAKTCZUMVBOC-MSOLQXFVSA-N
MW332.44 g/mol
LogP1.39
Rot. Bonds6

About 2-(4-methylphenyl)-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]acetamide

2-(4-methylphenyl)-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]acetamide (PubChem CID 94150138) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]acetamide
PubChem CID94150138
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name2-(4-methylphenyl)-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]acetamide
SMILESCc1ccc(CC(=O)NC[C@@H]([C@@H]2CCOC2)N2CCOCC2)cc1
InChIInChI=1S/C19H28N2O3/c1-15-2-4-16(5-3-15)12-19(22)20-13-18(17-6-9-24-14-17)21-7-10-23-11-8-21/h2-5,17-18H,6-14H2,1H3,(H,20,22)/t17-,18+/m1/s1
InChIKeyKBZAKTCZUMVBOC-MSOLQXFVSA-N
XLogP1.39
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-1,2-oxazole-3-carboxamide
CID 94022952
1,5-dimethyl-N-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]pyrazole-4-carboxamide
CID 94021725
1,5-dimethyl-N-[(2R)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]pyrazole-4-carboxamide
CID 94021723
2,5-dimethyl-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]thiophene-3-carboxamide
CID 94083341
N-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]thiophene-2-carboxamide
CID 94083431
5-ethyl-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]thiophene-2-carboxamide
CID 94021730
(2S)-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-2-phenylbutanamide
CID 94150246
2-(4-chlorophenoxy)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]acetamide
CID 55602811
2-methylsulfonyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]benzamide
CID 55642293
3-methyl-N-[3-methyl-1-[[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]amino]-1-oxobutan-2-yl]benzamide
CID 55642245
1-ethyl-1-[(3-methylphenyl)methyl]-3-[(2R)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]urea
CID 94054493
1-[(3-methylthiophen-2-yl)methyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea
CID 55792498

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]acetamide?
The IUPAC name of 2-(4-methylphenyl)-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]acetamide (CID 94150138) is 2-(4-methylphenyl)-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]acetamide.
What is the SMILES notation for 2-(4-methylphenyl)-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]acetamide?
The canonical SMILES for 2-(4-methylphenyl)-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]acetamide is Cc1ccc(CC(=O)NC[C@@H]([C@@H]2CCOC2)N2CCOCC2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]acetamide?
The InChIKey is KBZAKTCZUMVBOC-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-15-2-4-16(5-3-15)12-19(22)20-13-18(17-6-9-24-14-17)21-7-10-23-11-8-21/h2-5,17-18H,6-14H2,1H3,(H,20,22)/t17-,18+/m1/s1.
What are the key properties of 2-(4-methylphenyl)-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]acetamide?
2-(4-methylphenyl)-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]acetamide has a molecular weight of 332.44 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]acetamide is sourced from PubChem (CID 94150138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).