1-[(2S)-2-morpholin-4-yl-2-phenylethyl]-3-[(1R)-1-phenylethyl]urea

C21H27N3O2 — CID 51934988

IUPAC1-[(2S)-2-morpholin-4-yl-2-phenylethyl]-3-[(1R)-1-phenylethyl]urea
SMILESC[C@@H](NC(=O)NC[C@H](c1ccccc1)N1CCOCC1)c1ccccc1
InChIInChI=1S/C21H27N3O2/c1-17(18-8-4-2-5-9-18)23-21(25)22-16-20(19-10-6-3-7-11-19)24-12-14-26-15-13-24/h2-11,17,20H,12-16H2,1H3,(H2,22,23,25)/t17-,20-/m1/s1
InChIKeyRVIXBQLHTTUBFX-YLJYHZDGSA-N
MW353.47 g/mol
LogP3.12
Rot. Bonds6

About 1-[(2S)-2-morpholin-4-yl-2-phenylethyl]-3-[(1R)-1-phenylethyl]urea

1-[(2S)-2-morpholin-4-yl-2-phenylethyl]-3-[(1R)-1-phenylethyl]urea (PubChem CID 51934988) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 1-[(2S)-2-morpholin-4-yl-2-phenylethyl]-3-[(1R)-1-phenylethyl]urea.

Molecular Properties

Compound Name1-[(2S)-2-morpholin-4-yl-2-phenylethyl]-3-[(1R)-1-phenylethyl]urea
PubChem CID51934988
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name1-[(2S)-2-morpholin-4-yl-2-phenylethyl]-3-[(1R)-1-phenylethyl]urea
SMILESC[C@@H](NC(=O)NC[C@H](c1ccccc1)N1CCOCC1)c1ccccc1
InChIInChI=1S/C21H27N3O2/c1-17(18-8-4-2-5-9-18)23-21(25)22-16-20(19-10-6-3-7-11-19)24-12-14-26-15-13-24/h2-11,17,20H,12-16H2,1H3,(H2,22,23,25)/t17-,20-/m1/s1
InChIKeyRVIXBQLHTTUBFX-YLJYHZDGSA-N
XLogP3.12
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(2S)-2-morpholin-4-yl-2-phenylethyl]-3-[(1R)-1-phenylethyl]urea with MolForge

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Related Compounds

1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea
CID 86993305
2-morpholin-4-yl-N-(1-phenylethyl)propanamide
CID 42913456
(2R)-2-morpholin-4-yl-N-[(1S)-1-phenylethyl]propanamide
CID 27067773
1-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-(2-methylpropyl)urea
CID 110621889
1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 60592666
1-(2-hydroxy-1-phenylethyl)-3-(2-morpholin-4-ylpropyl)urea
CID 87003592
1-[(1-methylpyrrol-3-yl)methyl]-3-(2-morpholin-4-yl-2-phenylethyl)urea
CID 71980803
(2S)-2-amino-3,3-dimethyl-N-(2-morpholin-4-yl-2-phenylethyl)butanamide
CID 119853237
1-[(4-chlorophenyl)methyl]-3-(2-morpholin-4-yl-2-phenylethyl)urea
CID 42890774
1-[(4-fluorophenyl)methyl]-3-(2-morpholin-4-yl-2-phenylethyl)urea
CID 42890407
1-[2-(4-fluorophenyl)ethyl]-3-[(2R)-2-morpholin-4-yl-2-phenylethyl]urea
CID 51934907
N-benzyl-N'-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide
CID 30835176

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-morpholin-4-yl-2-phenylethyl]-3-[(1R)-1-phenylethyl]urea?
The IUPAC name of 1-[(2S)-2-morpholin-4-yl-2-phenylethyl]-3-[(1R)-1-phenylethyl]urea (CID 51934988) is 1-[(2S)-2-morpholin-4-yl-2-phenylethyl]-3-[(1R)-1-phenylethyl]urea.
What is the SMILES notation for 1-[(2S)-2-morpholin-4-yl-2-phenylethyl]-3-[(1R)-1-phenylethyl]urea?
The canonical SMILES for 1-[(2S)-2-morpholin-4-yl-2-phenylethyl]-3-[(1R)-1-phenylethyl]urea is C[C@@H](NC(=O)NC[C@H](c1ccccc1)N1CCOCC1)c1ccccc1.
What is the InChIKey of 1-[(2S)-2-morpholin-4-yl-2-phenylethyl]-3-[(1R)-1-phenylethyl]urea?
The InChIKey is RVIXBQLHTTUBFX-YLJYHZDGSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-17(18-8-4-2-5-9-18)23-21(25)22-16-20(19-10-6-3-7-11-19)24-12-14-26-15-13-24/h2-11,17,20H,12-16H2,1H3,(H2,22,23,25)/t17-,20-/m1/s1.
What are the key properties of 1-[(2S)-2-morpholin-4-yl-2-phenylethyl]-3-[(1R)-1-phenylethyl]urea?
1-[(2S)-2-morpholin-4-yl-2-phenylethyl]-3-[(1R)-1-phenylethyl]urea has a molecular weight of 353.47 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-morpholin-4-yl-2-phenylethyl]-3-[(1R)-1-phenylethyl]urea is sourced from PubChem (CID 51934988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).