(1-hydroxy-3-morpholin-4-yl-1-phenylpropan-2-yl) N-benzylcarbamate

C21H26N2O4 — CID 140532876

IUPAC(1-hydroxy-3-morpholin-4-yl-1-phenylpropan-2-yl) N-benzylcarbamate
SMILESO=C(NCc1ccccc1)OC(CN1CCOCC1)C(O)c1ccccc1
InChIInChI=1S/C21H26N2O4/c24-20(18-9-5-2-6-10-18)19(16-23-11-13-26-14-12-23)27-21(25)22-15-17-7-3-1-4-8-17/h1-10,19-20,24H,11-16H2,(H,22,25)
InChIKeyOGWCUVSHJWQVCC-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.35
Rot. Bonds7

About (1-hydroxy-3-morpholin-4-yl-1-phenylpropan-2-yl) N-benzylcarbamate

(1-hydroxy-3-morpholin-4-yl-1-phenylpropan-2-yl) N-benzylcarbamate (PubChem CID 140532876) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is (1-hydroxy-3-morpholin-4-yl-1-phenylpropan-2-yl) N-benzylcarbamate.

Molecular Properties

Compound Name(1-hydroxy-3-morpholin-4-yl-1-phenylpropan-2-yl) N-benzylcarbamate
PubChem CID140532876
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name(1-hydroxy-3-morpholin-4-yl-1-phenylpropan-2-yl) N-benzylcarbamate
SMILESO=C(NCc1ccccc1)OC(CN1CCOCC1)C(O)c1ccccc1
InChIInChI=1S/C21H26N2O4/c24-20(18-9-5-2-6-10-18)19(16-23-11-13-26-14-12-23)27-21(25)22-15-17-7-3-1-4-8-17/h1-10,19-20,24H,11-16H2,(H,22,25)
InChIKeyOGWCUVSHJWQVCC-UHFFFAOYSA-N
XLogP2.35
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1-hydroxy-3-morpholin-4-yl-1-phenylpropan-2-yl) N-benzylcarbamate 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

2,5-bis(morpholin-4-ylmethyl)-1,6-diphenylhexane-1,6-diol
CID 56688049
2-(benzylamino)-3-morpholin-4-ylpropanoic acid
CID 91254110
4-(acetamidomethyl)-N-(2-morpholin-4-yl-1-phenylethyl)benzamide
CID 18166767
[(1S)-2-morpholin-4-yl-1-phenylethyl]carbamic acid
CID 68931667
(2S,3R)-N-benzyl-2,3-dihydroxy-3-phenylpropanamide
CID 71048663
N-benzyl-4-(morpholin-4-ylmethyl)benzamide
CID 786772
(3R)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenylbutanamide
CID 26008683
1-benzyl-3-morpholin-4-ylurea
CID 107653208
N-benzyl-4-(2-morpholin-4-ylacetyl)piperazine-1-carboxamide
CID 24664690
3-morpholin-4-yl-1-phenyl-2-[[(1S)-1-phenylethyl]amino]propan-1-ol;dihydrochloride
CID 66646151
2-(dimethylamino)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenylacetamide
CID 51127553
(2R)-2-(dimethylamino)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenylacetamide
CID 52522894

Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-3-morpholin-4-yl-1-phenylpropan-2-yl) N-benzylcarbamate?
The IUPAC name of (1-hydroxy-3-morpholin-4-yl-1-phenylpropan-2-yl) N-benzylcarbamate (CID 140532876) is (1-hydroxy-3-morpholin-4-yl-1-phenylpropan-2-yl) N-benzylcarbamate.
What is the SMILES notation for (1-hydroxy-3-morpholin-4-yl-1-phenylpropan-2-yl) N-benzylcarbamate?
The canonical SMILES for (1-hydroxy-3-morpholin-4-yl-1-phenylpropan-2-yl) N-benzylcarbamate is O=C(NCc1ccccc1)OC(CN1CCOCC1)C(O)c1ccccc1.
What is the InChIKey of (1-hydroxy-3-morpholin-4-yl-1-phenylpropan-2-yl) N-benzylcarbamate?
The InChIKey is OGWCUVSHJWQVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c24-20(18-9-5-2-6-10-18)19(16-23-11-13-26-14-12-23)27-21(25)22-15-17-7-3-1-4-8-17/h1-10,19-20,24H,11-16H2,(H,22,25).
What are the key properties of (1-hydroxy-3-morpholin-4-yl-1-phenylpropan-2-yl) N-benzylcarbamate?
(1-hydroxy-3-morpholin-4-yl-1-phenylpropan-2-yl) N-benzylcarbamate has a molecular weight of 370.45 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-3-morpholin-4-yl-1-phenylpropan-2-yl) N-benzylcarbamate is sourced from PubChem (CID 140532876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).