(2S)-N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]propanamide

C19H31N3O2 — CID 95612094

IUPAC(2S)-N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]propanamide
SMILESCCc1ccc([C@H](C)NC(=O)[C@H](C)NC[C@@H]2CN(C)CCO2)cc1
InChIInChI=1S/C19H31N3O2/c1-5-16-6-8-17(9-7-16)14(2)21-19(23)15(3)20-12-18-13-22(4)10-11-24-18/h6-9,14-15,18,20H,5,10-13H2,1-4H3,(H,21,23)/t14-,15-,18+/m0/s1
InChIKeyJGLHBDOEXPPBKB-RLFYNMQTSA-N
MW333.48 g/mol
LogP1.73
Rot. Bonds7

About (2S)-N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]propanamide

(2S)-N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]propanamide (PubChem CID 95612094) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is (2S)-N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]propanamide
PubChem CID95612094
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name(2S)-N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]propanamide
SMILESCCc1ccc([C@H](C)NC(=O)[C@H](C)NC[C@@H]2CN(C)CCO2)cc1
InChIInChI=1S/C19H31N3O2/c1-5-16-6-8-17(9-7-16)14(2)21-19(23)15(3)20-12-18-13-22(4)10-11-24-18/h6-9,14-15,18,20H,5,10-13H2,1-4H3,(H,21,23)/t14-,15-,18+/m0/s1
InChIKeyJGLHBDOEXPPBKB-RLFYNMQTSA-N
XLogP1.73
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]propanamide 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

(2S)-N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]propanamide
CID 95327938
N-methyl-2-[(4-methylmorpholin-2-yl)methylamino]propanamide
CID 78945377
1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(4-methylmorpholin-2-yl)methyl]urea
CID 138010008
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]acetamide
CID 95336812
2-[(4-methylmorpholin-2-yl)methylamino]propanoic acid
CID 78967405
(1R)-1-(4-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 81359066
2-[(4-methylmorpholin-2-yl)methylamino]propanamide
CID 78945177
2-methyl-1-[(4-methylmorpholin-2-yl)methyl]-3-[1-[4-(2-methylpropyl)phenyl]ethyl]guanidine
CID 111298797
(1S)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 95327850
(1R)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 95327851
(2R)-2-[[(2S)-4-methylmorpholin-2-yl]methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 95293289
N-[1-(4-ethylphenyl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 119685898

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]propanamide?
The IUPAC name of (2S)-N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]propanamide (CID 95612094) is (2S)-N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]propanamide.
What is the SMILES notation for (2S)-N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]propanamide?
The canonical SMILES for (2S)-N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]propanamide is CCc1ccc([C@H](C)NC(=O)[C@H](C)NC[C@@H]2CN(C)CCO2)cc1.
What is the InChIKey of (2S)-N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]propanamide?
The InChIKey is JGLHBDOEXPPBKB-RLFYNMQTSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-5-16-6-8-17(9-7-16)14(2)21-19(23)15(3)20-12-18-13-22(4)10-11-24-18/h6-9,14-15,18,20H,5,10-13H2,1-4H3,(H,21,23)/t14-,15-,18+/m0/s1.
What are the key properties of (2S)-N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]propanamide?
(2S)-N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]propanamide has a molecular weight of 333.48 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]propanamide is sourced from PubChem (CID 95612094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).