1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(2-methylprop-2-enyl)urea

C14H20N2O2 — CID 91650522

IUPAC1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(2-methylprop-2-enyl)urea
SMILESC=C(C)CNC(=O)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C14H20N2O2/c1-11(2)9-15-14(18)16-13(10-17)8-12-6-4-3-5-7-12/h3-7,13,17H,1,8-10H2,2H3,(H2,15,16,18)/t13-/m0/s1
InChIKeyPQTVHUZGEDKCIT-ZDUSSCGKSA-N
MW248.33 g/mol
LogP1.47
Rot. Bonds6

About 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(2-methylprop-2-enyl)urea

1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(2-methylprop-2-enyl)urea (PubChem CID 91650522) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(2-methylprop-2-enyl)urea.

Molecular Properties

Compound Name1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(2-methylprop-2-enyl)urea
PubChem CID91650522
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(2-methylprop-2-enyl)urea
SMILESC=C(C)CNC(=O)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C14H20N2O2/c1-11(2)9-15-14(18)16-13(10-17)8-12-6-4-3-5-7-12/h3-7,13,17H,1,8-10H2,2H3,(H2,15,16,18)/t13-/m0/s1
InChIKeyPQTVHUZGEDKCIT-ZDUSSCGKSA-N
XLogP1.47
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
1-but-2-ynyl-3-(1-hydroxy-3-phenylpropan-2-yl)urea
CID 84597423
(2S)-2-(2-methylprop-2-enylcarbamoylamino)-4-phenylbutanoic acid
CID 104983666
1-[2-(diethylamino)-2-phenylethyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea
CID 112831938
1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-[(5-methylthiophen-2-yl)methyl]urea
CID 96543810
(2S)-2-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methylbutanamide
CID 10988719
(2R)-2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylbutanamide
CID 79013366
2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylbutanamide
CID 55168250
N,N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]butanediamide
CID 102096047
2-(butan-2-ylamino)-N-(1-hydroxy-3-phenylpropan-2-yl)acetamide
CID 63261541
3-acetamido-N-(1-hydroxy-3-phenylpropan-2-yl)propanamide
CID 63260698
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 99635583

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(2-methylprop-2-enyl)urea?
The IUPAC name of 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(2-methylprop-2-enyl)urea (CID 91650522) is 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(2-methylprop-2-enyl)urea.
What is the SMILES notation for 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(2-methylprop-2-enyl)urea?
The canonical SMILES for 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(2-methylprop-2-enyl)urea is C=C(C)CNC(=O)N[C@H](CO)Cc1ccccc1.
What is the InChIKey of 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(2-methylprop-2-enyl)urea?
The InChIKey is PQTVHUZGEDKCIT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11(2)9-15-14(18)16-13(10-17)8-12-6-4-3-5-7-12/h3-7,13,17H,1,8-10H2,2H3,(H2,15,16,18)/t13-/m0/s1.
What are the key properties of 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(2-methylprop-2-enyl)urea?
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(2-methylprop-2-enyl)urea has a molecular weight of 248.33 g/mol, XLogP of 1.47, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(2-methylprop-2-enyl)urea is sourced from PubChem (CID 91650522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).