(1-hydroxy-2-methylpentyl)urea

C7H16N2O2 — CID 16722700

IUPAC(1-hydroxy-2-methylpentyl)urea
SMILESCCCC(C)C(O)NC(N)=O
InChIInChI=1S/C7H16N2O2/c1-3-4-5(2)6(10)9-7(8)11/h5-6,10H,3-4H2,1-2H3,(H3,8,9,11)
InChIKeyMUPBLHXMTKIRDJ-UHFFFAOYSA-N
MW160.22 g/mol
LogP0.41
Rot. Bonds4

About (1-hydroxy-2-methylpentyl)urea

(1-hydroxy-2-methylpentyl)urea (PubChem CID 16722700) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is (1-hydroxy-2-methylpentyl)urea.

Molecular Properties

Compound Name(1-hydroxy-2-methylpentyl)urea
PubChem CID16722700
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Name(1-hydroxy-2-methylpentyl)urea
SMILESCCCC(C)C(O)NC(N)=O
InChIInChI=1S/C7H16N2O2/c1-3-4-5(2)6(10)9-7(8)11/h5-6,10H,3-4H2,1-2H3,(H3,8,9,11)
InChIKeyMUPBLHXMTKIRDJ-UHFFFAOYSA-N
XLogP0.41
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (1-hydroxy-2-methylpentyl)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

[(4R,5S)-5-(carbamoylamino)octan-4-yl]urea
CID 92527887
2-hydroxy-3-methylhexanamide
CID 62226604
2,3-dimethylhexanamide
CID 55291364
2-(carbamoylamino)pentanamide;hydrochloride
CID 155195679
hexan-3-ylurea;molecular hydrogen
CID 143768672
[1-(carbamoylamino)-2-methylpropyl]urea
CID 22478
3-hydroxy-4-methylheptan-2-one
CID 45085736
N'-pentan-2-ylpropanediamide
CID 88934201
(2R)-N-(3-aminobutyl)-2-(carbamoylamino)pentanamide
CID 119497921
(2R)-3-methylhexan-2-ol
CID 88692749
propyl (2S,3S)-2-(carbamoylamino)-3-methylpentanoate
CID 97170653
ethane;methyl carbamate;2-methylpentane;molecular hydrogen
CID 143037525

Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-2-methylpentyl)urea?
The IUPAC name of (1-hydroxy-2-methylpentyl)urea (CID 16722700) is (1-hydroxy-2-methylpentyl)urea.
What is the SMILES notation for (1-hydroxy-2-methylpentyl)urea?
The canonical SMILES for (1-hydroxy-2-methylpentyl)urea is CCCC(C)C(O)NC(N)=O.
What is the InChIKey of (1-hydroxy-2-methylpentyl)urea?
The InChIKey is MUPBLHXMTKIRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-3-4-5(2)6(10)9-7(8)11/h5-6,10H,3-4H2,1-2H3,(H3,8,9,11).
What are the key properties of (1-hydroxy-2-methylpentyl)urea?
(1-hydroxy-2-methylpentyl)urea has a molecular weight of 160.22 g/mol, XLogP of 0.41, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-2-methylpentyl)urea is sourced from PubChem (CID 16722700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).