1-[(1R)-2-hydroxy-1-phenylethyl]-3-propan-2-ylurea

C12H18N2O2 — CID 103763270

IUPAC1-[(1R)-2-hydroxy-1-phenylethyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)N[C@@H](CO)c1ccccc1
InChIInChI=1S/C12H18N2O2/c1-9(2)13-12(16)14-11(8-15)10-6-4-3-5-7-10/h3-7,9,11,15H,8H2,1-2H3,(H2,13,14,16)/t11-/m0/s1
InChIKeyXNMWDSTZJJXOII-NSHDSACASA-N
MW222.29 g/mol
LogP1.43
Rot. Bonds4

About 1-[(1R)-2-hydroxy-1-phenylethyl]-3-propan-2-ylurea

1-[(1R)-2-hydroxy-1-phenylethyl]-3-propan-2-ylurea (PubChem CID 103763270) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-[(1R)-2-hydroxy-1-phenylethyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[(1R)-2-hydroxy-1-phenylethyl]-3-propan-2-ylurea
PubChem CID103763270
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-[(1R)-2-hydroxy-1-phenylethyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)N[C@@H](CO)c1ccccc1
InChIInChI=1S/C12H18N2O2/c1-9(2)13-12(16)14-11(8-15)10-6-4-3-5-7-10/h3-7,9,11,15H,8H2,1-2H3,(H2,13,14,16)/t11-/m0/s1
InChIKeyXNMWDSTZJJXOII-NSHDSACASA-N
XLogP1.43
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-2-hydroxy-1-phenylethyl]-3-(1-methylsulfanylpropan-2-yl)urea
CID 75517861
1-(2-hydroxy-1-phenylethyl)-3-[1-(2-methylphenyl)propan-2-yl]urea
CID 110901372
2-amino-N-(2-hydroxy-1-phenylethyl)propanamide
CID 63183565
1-butyl-3-[(1R)-2-hydroxy-1-phenylethyl]urea
CID 94740192
1-(2-ethylphenyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 110895839
1-[1-(2,3-difluorophenyl)ethyl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea
CID 75517893
2-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbutanamide
CID 114010258
4-hydroxy-N-(2-hydroxy-1-phenylethyl)pentanamide
CID 79203204
1-[(1S)-1-(3-cyanophenyl)ethyl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea
CID 95969459
1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 110895795
N-(2-hydroxy-1-phenylethyl)benzamide
CID 14150746
N-(2-hydroxy-1-phenylethyl)butanamide
CID 63184192

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2-hydroxy-1-phenylethyl]-3-propan-2-ylurea?
The IUPAC name of 1-[(1R)-2-hydroxy-1-phenylethyl]-3-propan-2-ylurea (CID 103763270) is 1-[(1R)-2-hydroxy-1-phenylethyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[(1R)-2-hydroxy-1-phenylethyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[(1R)-2-hydroxy-1-phenylethyl]-3-propan-2-ylurea is CC(C)NC(=O)N[C@@H](CO)c1ccccc1.
What is the InChIKey of 1-[(1R)-2-hydroxy-1-phenylethyl]-3-propan-2-ylurea?
The InChIKey is XNMWDSTZJJXOII-NSHDSACASA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9(2)13-12(16)14-11(8-15)10-6-4-3-5-7-10/h3-7,9,11,15H,8H2,1-2H3,(H2,13,14,16)/t11-/m0/s1.
What are the key properties of 1-[(1R)-2-hydroxy-1-phenylethyl]-3-propan-2-ylurea?
1-[(1R)-2-hydroxy-1-phenylethyl]-3-propan-2-ylurea has a molecular weight of 222.29 g/mol, XLogP of 1.43, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2-hydroxy-1-phenylethyl]-3-propan-2-ylurea is sourced from PubChem (CID 103763270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).