1-[(2-chlorophenyl)methyl]-1-(2-hydroxyethyl)-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea

C17H26ClN3O3 — CID 125447273

IUPAC1-[(2-chlorophenyl)methyl]-1-(2-hydroxyethyl)-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea
SMILESC[C@@H](CN1CCOCC1)NC(=O)N(CCO)Cc1ccccc1Cl
InChIInChI=1S/C17H26ClN3O3/c1-14(12-20-7-10-24-11-8-20)19-17(23)21(6-9-22)13-15-4-2-3-5-16(15)18/h2-5,14,22H,6-13H2,1H3,(H,19,23)/t14-/m0/s1
InChIKeyOFASQDJZYMCZQX-AWEZNQCLSA-N
MW355.87 g/mol
LogP1.56
Rot. Bonds7

About 1-[(2-chlorophenyl)methyl]-1-(2-hydroxyethyl)-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea

1-[(2-chlorophenyl)methyl]-1-(2-hydroxyethyl)-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea (PubChem CID 125447273) has the molecular formula C17H26ClN3O3 and a molecular weight of 355.87 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-1-(2-hydroxyethyl)-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-1-(2-hydroxyethyl)-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea
PubChem CID125447273
Molecular FormulaC17H26ClN3O3
Molecular Weight355.87 g/mol
Exact Mass355.17
IUPAC Name1-[(2-chlorophenyl)methyl]-1-(2-hydroxyethyl)-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea
SMILESC[C@@H](CN1CCOCC1)NC(=O)N(CCO)Cc1ccccc1Cl
InChIInChI=1S/C17H26ClN3O3/c1-14(12-20-7-10-24-11-8-20)19-17(23)21(6-9-22)13-15-4-2-3-5-16(15)18/h2-5,14,22H,6-13H2,1H3,(H,19,23)/t14-/m0/s1
InChIKeyOFASQDJZYMCZQX-AWEZNQCLSA-N
XLogP1.56
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(2-chlorophenyl)methyl]-1-(2-hydroxyethyl)-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea with MolForge

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Related Compounds

2-(2-hydroxyphenyl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide
CID 78990786
1-cyclobutyl-1-[(2-fluorophenyl)methyl]-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea
CID 97224410
3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2-morpholin-4-ylethyl)propanamide
CID 113119422
2-chloro-5-hydroxy-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 106501557
2-chloro-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide
CID 110441973
2-amino-N-(1-morpholin-4-ylpropan-2-yl)-2-phenylacetamide;dihydrochloride
CID 119851564
N-[(2-chlorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)cyclopentanecarboxamide
CID 42701433
2-chloro-N-[3-(1-morpholin-4-ylpropan-2-ylamino)-3-oxo-1-phenylpropyl]benzamide
CID 55723135
3-amino-2-methyl-N-(1-morpholin-4-ylpropan-2-yl)-3-phenylpropanamide
CID 119851584
N-benzyl-2-[(2-chlorophenyl)methoxy]-N-(1-morpholin-4-ylpropan-2-yl)acetamide
CID 56501629
1-(2-chlorophenyl)-3-(1-hydroxy-3-morpholin-4-ylpropan-2-yl)urea
CID 126841019
2-[(2-chlorophenyl)methyl-methylamino]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 26623732

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-1-(2-hydroxyethyl)-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-1-(2-hydroxyethyl)-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea (CID 125447273) is 1-[(2-chlorophenyl)methyl]-1-(2-hydroxyethyl)-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-1-(2-hydroxyethyl)-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-1-(2-hydroxyethyl)-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea is C[C@@H](CN1CCOCC1)NC(=O)N(CCO)Cc1ccccc1Cl.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-1-(2-hydroxyethyl)-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea?
The InChIKey is OFASQDJZYMCZQX-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H26ClN3O3/c1-14(12-20-7-10-24-11-8-20)19-17(23)21(6-9-22)13-15-4-2-3-5-16(15)18/h2-5,14,22H,6-13H2,1H3,(H,19,23)/t14-/m0/s1.
What are the key properties of 1-[(2-chlorophenyl)methyl]-1-(2-hydroxyethyl)-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea?
1-[(2-chlorophenyl)methyl]-1-(2-hydroxyethyl)-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea has a molecular weight of 355.87 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-1-(2-hydroxyethyl)-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea is sourced from PubChem (CID 125447273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).