1-(1-hydroxy-4-methylpentan-2-yl)-3-propan-2-ylurea

C10H22N2O2 — CID 61246689

IUPAC1-(1-hydroxy-4-methylpentan-2-yl)-3-propan-2-ylurea
SMILESCC(C)CC(CO)NC(=O)NC(C)C
InChIInChI=1S/C10H22N2O2/c1-7(2)5-9(6-13)12-10(14)11-8(3)4/h7-9,13H,5-6H2,1-4H3,(H2,11,12,14)
InChIKeyRWKDJYHQHZOSKX-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.10
Rot. Bonds5

About 1-(1-hydroxy-4-methylpentan-2-yl)-3-propan-2-ylurea

1-(1-hydroxy-4-methylpentan-2-yl)-3-propan-2-ylurea (PubChem CID 61246689) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-(1-hydroxy-4-methylpentan-2-yl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(1-hydroxy-4-methylpentan-2-yl)-3-propan-2-ylurea
PubChem CID61246689
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name1-(1-hydroxy-4-methylpentan-2-yl)-3-propan-2-ylurea
SMILESCC(C)CC(CO)NC(=O)NC(C)C
InChIInChI=1S/C10H22N2O2/c1-7(2)5-9(6-13)12-10(14)11-8(3)4/h7-9,13H,5-6H2,1-4H3,(H2,11,12,14)
InChIKeyRWKDJYHQHZOSKX-UHFFFAOYSA-N
XLogP1.10
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-but-3-en-2-yl-3-(1-hydroxy-4-methylpentan-2-yl)urea
CID 110007179
1-cyclobutyl-3-(1-hydroxy-4-methylpentan-2-yl)urea
CID 115730778
(2S)-2-amino-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
CID 61245278
2-amino-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
CID 61247041
1-[(2S)-1-hydroxypropan-2-yl]-3-propan-2-ylurea
CID 79023677
2-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)butanamide
CID 61246170
N-[(2S)-1-hydroxy-4-methylpentan-2-yl]prop-2-enamide
CID 101481663
1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-pyridin-4-ylurea
CID 95629506
1-N,1-N'-bis(1-hydroxy-4-methylpentan-2-yl)cyclohexane-1,1-dicarboxamide
CID 23141188
N-(1-hydroxy-4-methylpentan-2-yl)cycloheptanecarboxamide
CID 62588514
N-(1-hydroxy-4-methylpentan-2-yl)cyclopropanecarboxamide
CID 61246468
2-cyclopentyl-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
CID 61247343

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-4-methylpentan-2-yl)-3-propan-2-ylurea?
The IUPAC name of 1-(1-hydroxy-4-methylpentan-2-yl)-3-propan-2-ylurea (CID 61246689) is 1-(1-hydroxy-4-methylpentan-2-yl)-3-propan-2-ylurea.
What is the SMILES notation for 1-(1-hydroxy-4-methylpentan-2-yl)-3-propan-2-ylurea?
The canonical SMILES for 1-(1-hydroxy-4-methylpentan-2-yl)-3-propan-2-ylurea is CC(C)CC(CO)NC(=O)NC(C)C.
What is the InChIKey of 1-(1-hydroxy-4-methylpentan-2-yl)-3-propan-2-ylurea?
The InChIKey is RWKDJYHQHZOSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-7(2)5-9(6-13)12-10(14)11-8(3)4/h7-9,13H,5-6H2,1-4H3,(H2,11,12,14).
What are the key properties of 1-(1-hydroxy-4-methylpentan-2-yl)-3-propan-2-ylurea?
1-(1-hydroxy-4-methylpentan-2-yl)-3-propan-2-ylurea has a molecular weight of 202.30 g/mol, XLogP of 1.10, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-4-methylpentan-2-yl)-3-propan-2-ylurea is sourced from PubChem (CID 61246689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).