1-(4-butan-2-ylphenyl)-3-[(2R)-1-hydroxypropan-2-yl]urea

C14H22N2O2 — CID 11736822

IUPAC1-(4-butan-2-ylphenyl)-3-[(2R)-1-hydroxypropan-2-yl]urea
SMILESCCC(C)c1ccc(NC(=O)N[C@H](C)CO)cc1
InChIInChI=1S/C14H22N2O2/c1-4-10(2)12-5-7-13(8-6-12)16-14(18)15-11(3)9-17/h5-8,10-11,17H,4,9H2,1-3H3,(H2,15,16,18)/t10?,11-/m1/s1
InChIKeyNFPLPGZTOHBRFN-RRKGBCIJSA-N
MW250.34 g/mol
LogP2.70
Rot. Bonds5

About 1-(4-butan-2-ylphenyl)-3-[(2R)-1-hydroxypropan-2-yl]urea

1-(4-butan-2-ylphenyl)-3-[(2R)-1-hydroxypropan-2-yl]urea (PubChem CID 11736822) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(4-butan-2-ylphenyl)-3-[(2R)-1-hydroxypropan-2-yl]urea.

Molecular Properties

Compound Name1-(4-butan-2-ylphenyl)-3-[(2R)-1-hydroxypropan-2-yl]urea
PubChem CID11736822
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-(4-butan-2-ylphenyl)-3-[(2R)-1-hydroxypropan-2-yl]urea
SMILESCCC(C)c1ccc(NC(=O)N[C@H](C)CO)cc1
InChIInChI=1S/C14H22N2O2/c1-4-10(2)12-5-7-13(8-6-12)16-14(18)15-11(3)9-17/h5-8,10-11,17H,4,9H2,1-3H3,(H2,15,16,18)/t10?,11-/m1/s1
InChIKeyNFPLPGZTOHBRFN-RRKGBCIJSA-N
XLogP2.70
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(4-butan-2-ylphenyl)-3-[(2R)-1-hydroxypropan-2-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-butan-2-ylphenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 11149383
1-(4-butan-2-ylphenyl)-3-tert-butylurea
CID 6471062
1-(1-hydroxypropan-2-yl)-3-(4-methylsulfinylphenyl)urea
CID 111617573
1-[(2S)-1-hydroxypropan-2-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 51983515
1-(1-hydroxypropan-2-yl)-3-[4-(methylsulfanylmethyl)phenyl]urea
CID 110929129
1-(3,4-dimethylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110890307
N-[4-[(2R)-butan-2-yl]phenyl]-2-chloroacetamide
CID 2384376
2-amino-N-(4-butan-2-ylphenyl)acetamide
CID 43218233
1-(3,4-dichlorophenyl)-3-(1-hydroxypropan-2-yl)urea
CID 43417317
1-butan-2-yl-3-[4-[1-(propylamino)ethyl]phenyl]urea
CID 61341260
ethyl N-[4-[(2S)-butan-2-yl]phenyl]carbamate
CID 40507045
1-(4-butan-2-ylphenyl)-3-(3-chlorophenyl)urea
CID 2930662

Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-ylphenyl)-3-[(2R)-1-hydroxypropan-2-yl]urea?
The IUPAC name of 1-(4-butan-2-ylphenyl)-3-[(2R)-1-hydroxypropan-2-yl]urea (CID 11736822) is 1-(4-butan-2-ylphenyl)-3-[(2R)-1-hydroxypropan-2-yl]urea.
What is the SMILES notation for 1-(4-butan-2-ylphenyl)-3-[(2R)-1-hydroxypropan-2-yl]urea?
The canonical SMILES for 1-(4-butan-2-ylphenyl)-3-[(2R)-1-hydroxypropan-2-yl]urea is CCC(C)c1ccc(NC(=O)N[C@H](C)CO)cc1.
What is the InChIKey of 1-(4-butan-2-ylphenyl)-3-[(2R)-1-hydroxypropan-2-yl]urea?
The InChIKey is NFPLPGZTOHBRFN-RRKGBCIJSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-10(2)12-5-7-13(8-6-12)16-14(18)15-11(3)9-17/h5-8,10-11,17H,4,9H2,1-3H3,(H2,15,16,18)/t10?,11-/m1/s1.
What are the key properties of 1-(4-butan-2-ylphenyl)-3-[(2R)-1-hydroxypropan-2-yl]urea?
1-(4-butan-2-ylphenyl)-3-[(2R)-1-hydroxypropan-2-yl]urea has a molecular weight of 250.34 g/mol, XLogP of 2.70, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-ylphenyl)-3-[(2R)-1-hydroxypropan-2-yl]urea is sourced from PubChem (CID 11736822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).