(2S)-3-hydroxy-N-(2-morpholin-4-ylethyl)-2-(2-phenylpropanoylamino)propanamide

C18H27N3O4 — CID 6722979

IUPAC(2S)-3-hydroxy-N-(2-morpholin-4-ylethyl)-2-(2-phenylpropanoylamino)propanamide
SMILESCC(C(=O)N[C@@H](CO)C(=O)NCCN1CCOCC1)c1ccccc1
InChIInChI=1S/C18H27N3O4/c1-14(15-5-3-2-4-6-15)17(23)20-16(13-22)18(24)19-7-8-21-9-11-25-12-10-21/h2-6,14,16,22H,7-13H2,1H3,(H,19,24)(H,20,23)/t14?,16-/m0/s1
InChIKeyOQQSTDHLZNIZRO-WMCAAGNKSA-N
MW349.43 g/mol
LogP-0.28
Rot. Bonds8

About (2S)-3-hydroxy-N-(2-morpholin-4-ylethyl)-2-(2-phenylpropanoylamino)propanamide

(2S)-3-hydroxy-N-(2-morpholin-4-ylethyl)-2-(2-phenylpropanoylamino)propanamide (PubChem CID 6722979) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is (2S)-3-hydroxy-N-(2-morpholin-4-ylethyl)-2-(2-phenylpropanoylamino)propanamide.

Molecular Properties

Compound Name(2S)-3-hydroxy-N-(2-morpholin-4-ylethyl)-2-(2-phenylpropanoylamino)propanamide
PubChem CID6722979
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Name(2S)-3-hydroxy-N-(2-morpholin-4-ylethyl)-2-(2-phenylpropanoylamino)propanamide
SMILESCC(C(=O)N[C@@H](CO)C(=O)NCCN1CCOCC1)c1ccccc1
InChIInChI=1S/C18H27N3O4/c1-14(15-5-3-2-4-6-15)17(23)20-16(13-22)18(24)19-7-8-21-9-11-25-12-10-21/h2-6,14,16,22H,7-13H2,1H3,(H,19,24)(H,20,23)/t14?,16-/m0/s1
InChIKeyOQQSTDHLZNIZRO-WMCAAGNKSA-N
XLogP-0.28
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-hydroxy-N-morpholin-4-yl-2-(2-phenylpropanoylamino)propanamide
CID 4253359
3-methyl-N-[(1S)-2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]butanamide
CID 95140730
3-methyl-N-[(1R)-2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]butanamide
CID 95140732
2-amino-N-(2-morpholin-4-ylethyl)-2-phenylacetamide;dihydrochloride
CID 119827759
2,3,4,5,6-pentafluoro-N-[(2S)-3-hydroxy-1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]benzamide
CID 6724423
N-[2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]benzamide
CID 100963826
(2R)-2-[4-(2-methylpropyl)phenyl]-N-(2-morpholin-4-ylethyl)propanamide
CID 121452302
2-[(2,2-diphenylacetyl)amino]-4-methyl-N-[1-(3-morpholin-4-ylpropylamino)-1-oxobutan-2-yl]pentanamide
CID 11512168
2-N-(2-morpholin-4-ylethyl)-6-N-(1-phenylethyl)pyridine-2,6-dicarboxamide
CID 109096436
(2S)-2-amino-N-(2-morpholin-4-ylethyl)-4-phenylbutanamide
CID 104983793
(2R)-2-[2-(2-methylpropyl)phenyl]-N-(2-morpholin-4-ylethyl)propanamide;hydrochloride
CID 121452297
[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl] benzenecarbodithioate
CID 87805860

Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-N-(2-morpholin-4-ylethyl)-2-(2-phenylpropanoylamino)propanamide?
The IUPAC name of (2S)-3-hydroxy-N-(2-morpholin-4-ylethyl)-2-(2-phenylpropanoylamino)propanamide (CID 6722979) is (2S)-3-hydroxy-N-(2-morpholin-4-ylethyl)-2-(2-phenylpropanoylamino)propanamide.
What is the SMILES notation for (2S)-3-hydroxy-N-(2-morpholin-4-ylethyl)-2-(2-phenylpropanoylamino)propanamide?
The canonical SMILES for (2S)-3-hydroxy-N-(2-morpholin-4-ylethyl)-2-(2-phenylpropanoylamino)propanamide is CC(C(=O)N[C@@H](CO)C(=O)NCCN1CCOCC1)c1ccccc1.
What is the InChIKey of (2S)-3-hydroxy-N-(2-morpholin-4-ylethyl)-2-(2-phenylpropanoylamino)propanamide?
The InChIKey is OQQSTDHLZNIZRO-WMCAAGNKSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-14(15-5-3-2-4-6-15)17(23)20-16(13-22)18(24)19-7-8-21-9-11-25-12-10-21/h2-6,14,16,22H,7-13H2,1H3,(H,19,24)(H,20,23)/t14?,16-/m0/s1.
What are the key properties of (2S)-3-hydroxy-N-(2-morpholin-4-ylethyl)-2-(2-phenylpropanoylamino)propanamide?
(2S)-3-hydroxy-N-(2-morpholin-4-ylethyl)-2-(2-phenylpropanoylamino)propanamide has a molecular weight of 349.43 g/mol, XLogP of -0.28, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-N-(2-morpholin-4-ylethyl)-2-(2-phenylpropanoylamino)propanamide is sourced from PubChem (CID 6722979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).