1-(3-hydroxypropyl)-1-propan-2-ylurea

C7H16N2O2 — CID 61040269

IUPAC1-(3-hydroxypropyl)-1-propan-2-ylurea
SMILESCC(C)N(CCCO)C(N)=O
InChIInChI=1S/C7H16N2O2/c1-6(2)9(7(8)11)4-3-5-10/h6,10H,3-5H2,1-2H3,(H2,8,11)
InChIKeyGWPCLXYOPZOOIZ-UHFFFAOYSA-N
MW160.22 g/mol
LogP0.16
Rot. Bonds4

About 1-(3-hydroxypropyl)-1-propan-2-ylurea

1-(3-hydroxypropyl)-1-propan-2-ylurea (PubChem CID 61040269) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-1-propan-2-ylurea.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-1-propan-2-ylurea
PubChem CID61040269
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Name1-(3-hydroxypropyl)-1-propan-2-ylurea
SMILESCC(C)N(CCCO)C(N)=O
InChIInChI=1S/C7H16N2O2/c1-6(2)9(7(8)11)4-3-5-10/h6,10H,3-5H2,1-2H3,(H2,8,11)
InChIKeyGWPCLXYOPZOOIZ-UHFFFAOYSA-N
XLogP0.16
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(3-hydroxypropyl)-1-propan-2-ylurea 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

N-(3-hydroxypropyl)-2-methyl-N-propan-2-ylpropanamide
CID 61040005
1-[carbamoyl(2-hydroxyethyl)amino]ethanesulfonic acid
CID 19375335
(2S)-2-amino-N-(3-hydroxypropyl)-3,3-dimethyl-N-propan-2-ylbutanamide
CID 61158175
N-(3-hydroxypropyl)-N-propan-2-ylpentanamide
CID 61039653
4-carbamothioyl-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 54999256
(2S)-4-amino-2-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-4-oxobutanoic acid
CID 63719398
2,3,4,5,6-pentafluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 61040258
cis-(1S,2R)-2-[3-hydroxypropyl(propan-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 93469209
4-(aminomethyl)-N-(3-hydroxypropyl)-N-propan-2-ylcyclohexane-1-carboxamide
CID 62806942
N-(3-hydroxypropyl)-N-propan-2-ylcyclooctanecarboxamide
CID 65023347
ethyl 2-[3-hydroxypropyl(propan-2-yl)carbamoyl]-3,3-dimethylbutanoate
CID 116537917
3-[[3-hydroxypropyl(propan-2-yl)carbamoyl]-methylamino]-2-methylpropanoic acid
CID 55007333

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-1-propan-2-ylurea?
The IUPAC name of 1-(3-hydroxypropyl)-1-propan-2-ylurea (CID 61040269) is 1-(3-hydroxypropyl)-1-propan-2-ylurea.
What is the SMILES notation for 1-(3-hydroxypropyl)-1-propan-2-ylurea?
The canonical SMILES for 1-(3-hydroxypropyl)-1-propan-2-ylurea is CC(C)N(CCCO)C(N)=O.
What is the InChIKey of 1-(3-hydroxypropyl)-1-propan-2-ylurea?
The InChIKey is GWPCLXYOPZOOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-6(2)9(7(8)11)4-3-5-10/h6,10H,3-5H2,1-2H3,(H2,8,11).
What are the key properties of 1-(3-hydroxypropyl)-1-propan-2-ylurea?
1-(3-hydroxypropyl)-1-propan-2-ylurea has a molecular weight of 160.22 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-1-propan-2-ylurea is sourced from PubChem (CID 61040269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).