1-(2-hydroxy-1-phenylethyl)-3-[1-(2-methylphenyl)propan-2-yl]urea

C19H24N2O2 — CID 110901372

IUPAC1-(2-hydroxy-1-phenylethyl)-3-[1-(2-methylphenyl)propan-2-yl]urea
SMILESCc1ccccc1CC(C)NC(=O)NC(CO)c1ccccc1
InChIInChI=1S/C19H24N2O2/c1-14-8-6-7-11-17(14)12-15(2)20-19(23)21-18(13-22)16-9-4-3-5-10-16/h3-11,15,18,22H,12-13H2,1-2H3,(H2,20,21,23)
InChIKeyPYNSQXPWELMVBW-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.96
Rot. Bonds6

About 1-(2-hydroxy-1-phenylethyl)-3-[1-(2-methylphenyl)propan-2-yl]urea

1-(2-hydroxy-1-phenylethyl)-3-[1-(2-methylphenyl)propan-2-yl]urea (PubChem CID 110901372) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-(2-hydroxy-1-phenylethyl)-3-[1-(2-methylphenyl)propan-2-yl]urea.

Molecular Properties

Compound Name1-(2-hydroxy-1-phenylethyl)-3-[1-(2-methylphenyl)propan-2-yl]urea
PubChem CID110901372
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name1-(2-hydroxy-1-phenylethyl)-3-[1-(2-methylphenyl)propan-2-yl]urea
SMILESCc1ccccc1CC(C)NC(=O)NC(CO)c1ccccc1
InChIInChI=1S/C19H24N2O2/c1-14-8-6-7-11-17(14)12-15(2)20-19(23)21-18(13-22)16-9-4-3-5-10-16/h3-11,15,18,22H,12-13H2,1-2H3,(H2,20,21,23)
InChIKeyPYNSQXPWELMVBW-UHFFFAOYSA-N
XLogP2.96
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-2-hydroxy-1-phenylethyl]-3-propan-2-ylurea
CID 103763270
1-[(1S)-2-hydroxy-1-phenylethyl]-3-(1-methylsulfanylpropan-2-yl)urea
CID 75517861
(2S)-2-amino-N-[1-(2-methylphenyl)propan-2-yl]-2-phenylacetamide
CID 104897382
N-[1-(2-methylphenyl)propan-2-yl]acetamide
CID 541803
1-(2-ethylphenyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 110895839
1-(2-hydroxy-1-phenylethyl)-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea
CID 111414422
2-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbutanamide
CID 114010258
2-(methylamino)-N-[1-(2-methylphenyl)propan-2-yl]acetamide
CID 60927229
(E)-4-[1-(2-methylphenyl)propan-2-ylamino]-4-oxobut-2-enoic acid
CID 54866883
2-amino-N-(2-hydroxy-1-phenylethyl)propanamide
CID 63183565
2-bromo-3-methyl-N-[1-(2-methylphenyl)propan-2-yl]butanamide
CID 54867370
2-bromo-N-[1-(2-methylphenyl)propan-2-yl]butanamide
CID 62854671

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-1-phenylethyl)-3-[1-(2-methylphenyl)propan-2-yl]urea?
The IUPAC name of 1-(2-hydroxy-1-phenylethyl)-3-[1-(2-methylphenyl)propan-2-yl]urea (CID 110901372) is 1-(2-hydroxy-1-phenylethyl)-3-[1-(2-methylphenyl)propan-2-yl]urea.
What is the SMILES notation for 1-(2-hydroxy-1-phenylethyl)-3-[1-(2-methylphenyl)propan-2-yl]urea?
The canonical SMILES for 1-(2-hydroxy-1-phenylethyl)-3-[1-(2-methylphenyl)propan-2-yl]urea is Cc1ccccc1CC(C)NC(=O)NC(CO)c1ccccc1.
What is the InChIKey of 1-(2-hydroxy-1-phenylethyl)-3-[1-(2-methylphenyl)propan-2-yl]urea?
The InChIKey is PYNSQXPWELMVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-14-8-6-7-11-17(14)12-15(2)20-19(23)21-18(13-22)16-9-4-3-5-10-16/h3-11,15,18,22H,12-13H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-(2-hydroxy-1-phenylethyl)-3-[1-(2-methylphenyl)propan-2-yl]urea?
1-(2-hydroxy-1-phenylethyl)-3-[1-(2-methylphenyl)propan-2-yl]urea has a molecular weight of 312.41 g/mol, XLogP of 2.96, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-1-phenylethyl)-3-[1-(2-methylphenyl)propan-2-yl]urea is sourced from PubChem (CID 110901372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).