1-(4-tert-butylphenyl)-3-[(2S)-4-hydroxybutan-2-yl]urea

C15H24N2O2 — CID 86702389

IUPAC1-(4-tert-butylphenyl)-3-[(2S)-4-hydroxybutan-2-yl]urea
SMILESC[C@@H](CCO)NC(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H24N2O2/c1-11(9-10-18)16-14(19)17-13-7-5-12(6-8-13)15(2,3)4/h5-8,11,18H,9-10H2,1-4H3,(H2,16,17,19)/t11-/m0/s1
InChIKeyQVAKJQWUYPWQSB-NSHDSACASA-N
MW264.37 g/mol
LogP2.88
Rot. Bonds4

About 1-(4-tert-butylphenyl)-3-[(2S)-4-hydroxybutan-2-yl]urea

1-(4-tert-butylphenyl)-3-[(2S)-4-hydroxybutan-2-yl]urea (PubChem CID 86702389) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-3-[(2S)-4-hydroxybutan-2-yl]urea.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-3-[(2S)-4-hydroxybutan-2-yl]urea
PubChem CID86702389
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-(4-tert-butylphenyl)-3-[(2S)-4-hydroxybutan-2-yl]urea
SMILESC[C@@H](CCO)NC(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H24N2O2/c1-11(9-10-18)16-14(19)17-13-7-5-12(6-8-13)15(2,3)4/h5-8,11,18H,9-10H2,1-4H3,(H2,16,17,19)/t11-/m0/s1
InChIKeyQVAKJQWUYPWQSB-NSHDSACASA-N
XLogP2.88
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(4-tert-butylphenyl)-3-[(2S)-4-hydroxybutan-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-tert-butylphenyl)-3-[(2R)-1-chloropropan-2-yl]urea
CID 11380177
1-(4-tert-butylsulfanylphenyl)-3-[(2R)-4-hydroxybutan-2-yl]urea
CID 95774131
1-(4-hydroxybutan-2-yl)-3-phenylurea
CID 78998445
tert-butyl (3S)-3-[(4-tert-butylphenyl)carbamoylamino]butanoate
CID 67989065
1-(4-tert-butylphenyl)-3-[1-[ethynyl(dimethyl)silyl]propan-2-yl]urea
CID 141151716
1-[(2S)-1-hydroxypropan-2-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 51983515
1-(4-tert-butylanilino)-3-(5-hydroxypentan-2-yl)urea
CID 110024188
1-[4-(dimethylsulfamoyl)phenyl]-3-(4-hydroxybutan-2-yl)urea
CID 146089010
1-(4-tert-butylphenyl)-3-[(2S)-1-chlorobutan-2-yl]urea
CID 11323536
2-(4-aminophenyl)-N-(4-hydroxybutan-2-yl)-2-methylpropanamide
CID 83176249
1-(4-tert-butylphenyl)-3-(4-ethylphenyl)urea
CID 58441349
1-(4-tert-butylphenyl)-3-(chloromethyl)urea
CID 142021832

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-3-[(2S)-4-hydroxybutan-2-yl]urea?
The IUPAC name of 1-(4-tert-butylphenyl)-3-[(2S)-4-hydroxybutan-2-yl]urea (CID 86702389) is 1-(4-tert-butylphenyl)-3-[(2S)-4-hydroxybutan-2-yl]urea.
What is the SMILES notation for 1-(4-tert-butylphenyl)-3-[(2S)-4-hydroxybutan-2-yl]urea?
The canonical SMILES for 1-(4-tert-butylphenyl)-3-[(2S)-4-hydroxybutan-2-yl]urea is C[C@@H](CCO)NC(=O)Nc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-3-[(2S)-4-hydroxybutan-2-yl]urea?
The InChIKey is QVAKJQWUYPWQSB-NSHDSACASA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(9-10-18)16-14(19)17-13-7-5-12(6-8-13)15(2,3)4/h5-8,11,18H,9-10H2,1-4H3,(H2,16,17,19)/t11-/m0/s1.
What are the key properties of 1-(4-tert-butylphenyl)-3-[(2S)-4-hydroxybutan-2-yl]urea?
1-(4-tert-butylphenyl)-3-[(2S)-4-hydroxybutan-2-yl]urea has a molecular weight of 264.37 g/mol, XLogP of 2.88, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-3-[(2S)-4-hydroxybutan-2-yl]urea is sourced from PubChem (CID 86702389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).