1-(4-hydroxy-3-methylbutan-2-yl)-3-(3-methoxypropyl)urea

C10H22N2O3 — CID 111453729

IUPAC1-(4-hydroxy-3-methylbutan-2-yl)-3-(3-methoxypropyl)urea
SMILESCOCCCNC(=O)NC(C)C(C)CO
InChIInChI=1S/C10H22N2O3/c1-8(7-13)9(2)12-10(14)11-5-4-6-15-3/h8-9,13H,4-7H2,1-3H3,(H2,11,12,14)
InChIKeyNLMQYFAKECENAD-UHFFFAOYSA-N
MW218.30 g/mol
LogP0.34
Rot. Bonds7

About 1-(4-hydroxy-3-methylbutan-2-yl)-3-(3-methoxypropyl)urea

1-(4-hydroxy-3-methylbutan-2-yl)-3-(3-methoxypropyl)urea (PubChem CID 111453729) has the molecular formula C10H22N2O3 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(4-hydroxy-3-methylbutan-2-yl)-3-(3-methoxypropyl)urea.

Molecular Properties

Compound Name1-(4-hydroxy-3-methylbutan-2-yl)-3-(3-methoxypropyl)urea
PubChem CID111453729
Molecular FormulaC10H22N2O3
Molecular Weight218.30 g/mol
Exact Mass218.16
IUPAC Name1-(4-hydroxy-3-methylbutan-2-yl)-3-(3-methoxypropyl)urea
SMILESCOCCCNC(=O)NC(C)C(C)CO
InChIInChI=1S/C10H22N2O3/c1-8(7-13)9(2)12-10(14)11-5-4-6-15-3/h8-9,13H,4-7H2,1-3H3,(H2,11,12,14)
InChIKeyNLMQYFAKECENAD-UHFFFAOYSA-N
XLogP0.34
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(4-hydroxy-3-methylbutan-2-yl)-3-(3-methoxypropyl)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

(2R)-2-(3-methoxypropylcarbamoylamino)-3-methylbutanoic acid
CID 79009625
(2S,3R)-3-hydroxy-2-(3-methoxypropylcarbamoylamino)butanoic acid
CID 104965839
N-(3-methoxypropyl)-2-(propan-2-ylcarbamoylamino)acetamide
CID 112991240
(2R)-2-(4-methoxybutylcarbamoylamino)-3-methylbutanoic acid
CID 79009826
2-hydroxy-N-(3-methoxypropyl)propanamide
CID 43558715
1-(4-hydroxy-3-methylbutan-2-yl)-3-[2-[4-(trifluoromethyl)phenoxy]ethyl]urea
CID 111454652
(2S,3R)-3-(5-methoxypentylamino)-2-methylbutan-1-ol
CID 97307244
(2S)-2-(3-methoxypropylcarbamoylamino)pentanoic acid
CID 107566134
(2S)-4-hydroxy-2-(4-methoxybutylcarbamoylamino)butanoic acid
CID 107827216
1-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-3-(3-methoxypropyl)urea
CID 94780475
5-(5-methoxypentylcarbamoylamino)hexanoic acid
CID 114131677
2-amino-N-(3-methoxypropyl)-4-methylpentanamide
CID 22170060

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-3-methylbutan-2-yl)-3-(3-methoxypropyl)urea?
The IUPAC name of 1-(4-hydroxy-3-methylbutan-2-yl)-3-(3-methoxypropyl)urea (CID 111453729) is 1-(4-hydroxy-3-methylbutan-2-yl)-3-(3-methoxypropyl)urea.
What is the SMILES notation for 1-(4-hydroxy-3-methylbutan-2-yl)-3-(3-methoxypropyl)urea?
The canonical SMILES for 1-(4-hydroxy-3-methylbutan-2-yl)-3-(3-methoxypropyl)urea is COCCCNC(=O)NC(C)C(C)CO.
What is the InChIKey of 1-(4-hydroxy-3-methylbutan-2-yl)-3-(3-methoxypropyl)urea?
The InChIKey is NLMQYFAKECENAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3/c1-8(7-13)9(2)12-10(14)11-5-4-6-15-3/h8-9,13H,4-7H2,1-3H3,(H2,11,12,14).
What are the key properties of 1-(4-hydroxy-3-methylbutan-2-yl)-3-(3-methoxypropyl)urea?
1-(4-hydroxy-3-methylbutan-2-yl)-3-(3-methoxypropyl)urea has a molecular weight of 218.30 g/mol, XLogP of 0.34, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-3-methylbutan-2-yl)-3-(3-methoxypropyl)urea is sourced from PubChem (CID 111453729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).