1-(1-hydroxypropan-2-yl)-3-(2-methyl-2-phenylpentan-3-yl)urea

C16H26N2O2 — CID 111507058

IUPAC1-(1-hydroxypropan-2-yl)-3-(2-methyl-2-phenylpentan-3-yl)urea
SMILESCCC(NC(=O)NC(C)CO)C(C)(C)c1ccccc1
InChIInChI=1S/C16H26N2O2/c1-5-14(18-15(20)17-12(2)11-19)16(3,4)13-9-7-6-8-10-13/h6-10,12,14,19H,5,11H2,1-4H3,(H2,17,18,20)
InChIKeyNECQBSFMPLPFHM-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.42
Rot. Bonds6

About 1-(1-hydroxypropan-2-yl)-3-(2-methyl-2-phenylpentan-3-yl)urea

1-(1-hydroxypropan-2-yl)-3-(2-methyl-2-phenylpentan-3-yl)urea (PubChem CID 111507058) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(1-hydroxypropan-2-yl)-3-(2-methyl-2-phenylpentan-3-yl)urea.

Molecular Properties

Compound Name1-(1-hydroxypropan-2-yl)-3-(2-methyl-2-phenylpentan-3-yl)urea
PubChem CID111507058
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-(1-hydroxypropan-2-yl)-3-(2-methyl-2-phenylpentan-3-yl)urea
SMILESCCC(NC(=O)NC(C)CO)C(C)(C)c1ccccc1
InChIInChI=1S/C16H26N2O2/c1-5-14(18-15(20)17-12(2)11-19)16(3,4)13-9-7-6-8-10-13/h6-10,12,14,19H,5,11H2,1-4H3,(H2,17,18,20)
InChIKeyNECQBSFMPLPFHM-UHFFFAOYSA-N
XLogP2.42
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(1-hydroxypropan-2-yl)-3-(2-methyl-2-phenylpentan-3-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-hydroxy-3-methyl-3-phenylbutan-2-yl)carbamic acid
CID 154356432
3-amino-N-(2-methyl-2-phenylpentan-3-yl)butanamide;hydrochloride
CID 119801288
3-amino-2-methyl-N-(2-methyl-2-phenylpentan-3-yl)butanamide;hydrochloride
CID 120501519
N-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3-phenylbutanamide
CID 110306885
3-(2-aminophenyl)-N-(2-methyl-2-phenylpentan-3-yl)propanamide
CID 120611247
1-benzyl-3-[(2R)-1-hydroxypropan-2-yl]urea
CID 94035272
2-anilino-N-(1-hydroxypropan-2-yl)acetamide
CID 60862778
3-chloro-N-[(3S)-2-methyl-2-phenylpentan-3-yl]pyridine-4-carboxamide
CID 95905491
1-[cyclopropyl(phenyl)methyl]-3-(1-hydroxypropan-2-yl)urea
CID 110892838
1-[(2-methyl-2-phenylpentan-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122003412
(2R)-2-[(2-methyl-2-phenylpropyl)amino]propan-1-ol
CID 103912755
3-[[(2-methyl-2-phenylpentan-3-yl)amino]methyl]benzoic acid
CID 122031619

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxypropan-2-yl)-3-(2-methyl-2-phenylpentan-3-yl)urea?
The IUPAC name of 1-(1-hydroxypropan-2-yl)-3-(2-methyl-2-phenylpentan-3-yl)urea (CID 111507058) is 1-(1-hydroxypropan-2-yl)-3-(2-methyl-2-phenylpentan-3-yl)urea.
What is the SMILES notation for 1-(1-hydroxypropan-2-yl)-3-(2-methyl-2-phenylpentan-3-yl)urea?
The canonical SMILES for 1-(1-hydroxypropan-2-yl)-3-(2-methyl-2-phenylpentan-3-yl)urea is CCC(NC(=O)NC(C)CO)C(C)(C)c1ccccc1.
What is the InChIKey of 1-(1-hydroxypropan-2-yl)-3-(2-methyl-2-phenylpentan-3-yl)urea?
The InChIKey is NECQBSFMPLPFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-14(18-15(20)17-12(2)11-19)16(3,4)13-9-7-6-8-10-13/h6-10,12,14,19H,5,11H2,1-4H3,(H2,17,18,20).
What are the key properties of 1-(1-hydroxypropan-2-yl)-3-(2-methyl-2-phenylpentan-3-yl)urea?
1-(1-hydroxypropan-2-yl)-3-(2-methyl-2-phenylpentan-3-yl)urea has a molecular weight of 278.40 g/mol, XLogP of 2.42, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxypropan-2-yl)-3-(2-methyl-2-phenylpentan-3-yl)urea is sourced from PubChem (CID 111507058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).