(2S)-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-2-phenylbutanamide

C20H30N2O3 — CID 94150246

IUPAC(2S)-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-2-phenylbutanamide
SMILESCC[C@H](C(=O)NC[C@H]([C@@H]1CCOC1)N1CCOCC1)c1ccccc1
InChIInChI=1S/C20H30N2O3/c1-2-18(16-6-4-3-5-7-16)20(23)21-14-19(17-8-11-25-15-17)22-9-12-24-13-10-22/h3-7,17-19H,2,8-15H2,1H3,(H,21,23)/t17-,18+,19-/m1/s1
InChIKeyZMXXWIREBPEAPL-CEXWTWQISA-N
MW346.47 g/mol
LogP2.03
Rot. Bonds7

About (2S)-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-2-phenylbutanamide

(2S)-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-2-phenylbutanamide (PubChem CID 94150246) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is (2S)-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-2-phenylbutanamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-2-phenylbutanamide
PubChem CID94150246
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name(2S)-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-2-phenylbutanamide
SMILESCC[C@H](C(=O)NC[C@H]([C@@H]1CCOC1)N1CCOCC1)c1ccccc1
InChIInChI=1S/C20H30N2O3/c1-2-18(16-6-4-3-5-7-16)20(23)21-14-19(17-8-11-25-15-17)22-9-12-24-13-10-22/h3-7,17-19H,2,8-15H2,1H3,(H,21,23)/t17-,18+,19-/m1/s1
InChIKeyZMXXWIREBPEAPL-CEXWTWQISA-N
XLogP2.03
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-2-phenylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[cyclopropyl(phenyl)methyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea
CID 55590697
(2S)-2-(benzenesulfonamido)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]propanamide
CID 55938397
N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56514384
1-[2-(N-methylanilino)phenyl]-3-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]urea
CID 52500829
1-(2-chlorophenyl)-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea
CID 55696727
benzyl N-[(2S)-3-methyl-1-[[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]amino]-1-oxobutan-2-yl]carbamate
CID 55938691
2-methyl-1-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111326635
2-methylsulfonyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]benzamide
CID 55642293
N-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]thiophene-2-carboxamide
CID 94083431
2-(4-methylphenyl)-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]acetamide
CID 94150138
(2R)-N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-2-phenylbutanamide
CID 99996591
5-ethyl-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]thiophene-2-carboxamide
CID 94021730

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-2-phenylbutanamide?
The IUPAC name of (2S)-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-2-phenylbutanamide (CID 94150246) is (2S)-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-2-phenylbutanamide.
What is the SMILES notation for (2S)-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-2-phenylbutanamide?
The canonical SMILES for (2S)-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-2-phenylbutanamide is CC[C@H](C(=O)NC[C@H]([C@@H]1CCOC1)N1CCOCC1)c1ccccc1.
What is the InChIKey of (2S)-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-2-phenylbutanamide?
The InChIKey is ZMXXWIREBPEAPL-CEXWTWQISA-N. The full InChI is InChI=1S/C20H30N2O3/c1-2-18(16-6-4-3-5-7-16)20(23)21-14-19(17-8-11-25-15-17)22-9-12-24-13-10-22/h3-7,17-19H,2,8-15H2,1H3,(H,21,23)/t17-,18+,19-/m1/s1.
What are the key properties of (2S)-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-2-phenylbutanamide?
(2S)-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-2-phenylbutanamide has a molecular weight of 346.47 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-2-phenylbutanamide is sourced from PubChem (CID 94150246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).