1-(3-acetylphenyl)-3-[(2R)-3-hydroxy-2-methylpropyl]urea

C13H18N2O3 — CID 94819199

IUPAC1-(3-acetylphenyl)-3-[(2R)-3-hydroxy-2-methylpropyl]urea
SMILESCC(=O)c1cccc(NC(=O)NC[C@@H](C)CO)c1
InChIInChI=1S/C13H18N2O3/c1-9(8-16)7-14-13(18)15-12-5-3-4-11(6-12)10(2)17/h3-6,9,16H,7-8H2,1-2H3,(H2,14,15,18)/t9-/m1/s1
InChIKeyBLVMMDZWDRBJHZ-SECBINFHSA-N
MW250.30 g/mol
LogP1.64
Rot. Bonds5

About 1-(3-acetylphenyl)-3-[(2R)-3-hydroxy-2-methylpropyl]urea

1-(3-acetylphenyl)-3-[(2R)-3-hydroxy-2-methylpropyl]urea (PubChem CID 94819199) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-3-[(2R)-3-hydroxy-2-methylpropyl]urea.

Molecular Properties

Compound Name1-(3-acetylphenyl)-3-[(2R)-3-hydroxy-2-methylpropyl]urea
PubChem CID94819199
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name1-(3-acetylphenyl)-3-[(2R)-3-hydroxy-2-methylpropyl]urea
SMILESCC(=O)c1cccc(NC(=O)NC[C@@H](C)CO)c1
InChIInChI=1S/C13H18N2O3/c1-9(8-16)7-14-13(18)15-12-5-3-4-11(6-12)10(2)17/h3-6,9,16H,7-8H2,1-2H3,(H2,14,15,18)/t9-/m1/s1
InChIKeyBLVMMDZWDRBJHZ-SECBINFHSA-N
XLogP1.64
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-acetylphenyl)-3-(2-ethoxypropyl)urea
CID 115662968
1-(3-acetylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 47032107
1-(3-acetylphenyl)-3-(1,3-dihydroxypropan-2-yl)urea
CID 65312663
3-[(3-acetylphenyl)carbamoylamino]-N-propan-2-ylpropanamide
CID 115581776
1-(3-acetylphenyl)-3-(5-hydroxypentyl)urea
CID 107302725
methyl 3-(2-methylpropylcarbamoylamino)benzoate
CID 39732859
3-(2,3,3-trimethylbutylcarbamoylamino)benzoic acid
CID 83144469
N'-(3-bromophenyl)-N-(3-hydroxy-2-methylpropyl)oxamide
CID 47669914
N-ethyl-3-(2-methylpropylcarbamoylamino)benzamide
CID 47200674
N-[3-(2-hydroxypropylcarbamoylamino)phenyl]acetamide
CID 108884122
1-(4-chlorophenyl)-3-(3-hydroxy-2-methylpropyl)urea
CID 61355731
N'-(3-acetylphenyl)-N-(2-hydroxypropyl)oxamide
CID 47225795

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-3-[(2R)-3-hydroxy-2-methylpropyl]urea?
The IUPAC name of 1-(3-acetylphenyl)-3-[(2R)-3-hydroxy-2-methylpropyl]urea (CID 94819199) is 1-(3-acetylphenyl)-3-[(2R)-3-hydroxy-2-methylpropyl]urea.
What is the SMILES notation for 1-(3-acetylphenyl)-3-[(2R)-3-hydroxy-2-methylpropyl]urea?
The canonical SMILES for 1-(3-acetylphenyl)-3-[(2R)-3-hydroxy-2-methylpropyl]urea is CC(=O)c1cccc(NC(=O)NC[C@@H](C)CO)c1.
What is the InChIKey of 1-(3-acetylphenyl)-3-[(2R)-3-hydroxy-2-methylpropyl]urea?
The InChIKey is BLVMMDZWDRBJHZ-SECBINFHSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9(8-16)7-14-13(18)15-12-5-3-4-11(6-12)10(2)17/h3-6,9,16H,7-8H2,1-2H3,(H2,14,15,18)/t9-/m1/s1.
What are the key properties of 1-(3-acetylphenyl)-3-[(2R)-3-hydroxy-2-methylpropyl]urea?
1-(3-acetylphenyl)-3-[(2R)-3-hydroxy-2-methylpropyl]urea has a molecular weight of 250.30 g/mol, XLogP of 1.64, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)-3-[(2R)-3-hydroxy-2-methylpropyl]urea is sourced from PubChem (CID 94819199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).