1-(1-hydroxypentan-3-yl)-3-(2-methyl-4-propoxyphenyl)urea

C16H26N2O3 — CID 111453173

IUPAC1-(1-hydroxypentan-3-yl)-3-(2-methyl-4-propoxyphenyl)urea
SMILESCCCOc1ccc(NC(=O)NC(CC)CCO)c(C)c1
InChIInChI=1S/C16H26N2O3/c1-4-10-21-14-6-7-15(12(3)11-14)18-16(20)17-13(5-2)8-9-19/h6-7,11,13,19H,4-5,8-10H2,1-3H3,(H2,17,18,20)
InChIKeyAIWGCEIBNUEISE-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.07
Rot. Bonds8

About 1-(1-hydroxypentan-3-yl)-3-(2-methyl-4-propoxyphenyl)urea

1-(1-hydroxypentan-3-yl)-3-(2-methyl-4-propoxyphenyl)urea (PubChem CID 111453173) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-(1-hydroxypentan-3-yl)-3-(2-methyl-4-propoxyphenyl)urea.

Molecular Properties

Compound Name1-(1-hydroxypentan-3-yl)-3-(2-methyl-4-propoxyphenyl)urea
PubChem CID111453173
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name1-(1-hydroxypentan-3-yl)-3-(2-methyl-4-propoxyphenyl)urea
SMILESCCCOc1ccc(NC(=O)NC(CC)CCO)c(C)c1
InChIInChI=1S/C16H26N2O3/c1-4-10-21-14-6-7-15(12(3)11-14)18-16(20)17-13(5-2)8-9-19/h6-7,11,13,19H,4-5,8-10H2,1-3H3,(H2,17,18,20)
InChIKeyAIWGCEIBNUEISE-UHFFFAOYSA-N
XLogP3.07
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethoxy-2-methylphenyl)-3-(1-hydroxypentan-3-yl)urea
CID 111453148
1-(2-hydroxyethyl)-3-(2-methyl-4-propoxyphenyl)urea
CID 47326596
(2-methyl-4-propoxyphenyl)carbamic acid
CID 118108315
4-amino-N-(2-methyl-4-propoxyphenyl)pentanamide
CID 120560885
N-(1-hydroxypentan-3-yl)-4-propoxybenzamide
CID 115767380
1-(1-hydroxypentan-3-yl)-3-(2-methyl-4-pyrrolidin-1-ylphenyl)urea
CID 111452861
(2S)-2-[(4-butoxy-2-methylphenyl)carbamoylamino]-N-ethylpropanamide
CID 95280434
(2R)-2-[(4-butoxy-2-methylphenyl)carbamoylamino]-N-ethylpropanamide
CID 95280435
3-amino-N-(2-methyl-4-propoxyphenyl)butanamide;hydrochloride
CID 119739467
1-(4-ethoxyphenyl)-3-(1-hydroxypentan-3-yl)urea
CID 111452541
1-[4-[(2-amino-1,3-thiazol-5-yl)oxy]-2-methylphenyl]-3-pentan-3-ylurea
CID 87792498
1-(4-hexoxy-2-methylphenyl)-3-(4-methylphenyl)sulfanylurea
CID 167203697

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxypentan-3-yl)-3-(2-methyl-4-propoxyphenyl)urea?
The IUPAC name of 1-(1-hydroxypentan-3-yl)-3-(2-methyl-4-propoxyphenyl)urea (CID 111453173) is 1-(1-hydroxypentan-3-yl)-3-(2-methyl-4-propoxyphenyl)urea.
What is the SMILES notation for 1-(1-hydroxypentan-3-yl)-3-(2-methyl-4-propoxyphenyl)urea?
The canonical SMILES for 1-(1-hydroxypentan-3-yl)-3-(2-methyl-4-propoxyphenyl)urea is CCCOc1ccc(NC(=O)NC(CC)CCO)c(C)c1.
What is the InChIKey of 1-(1-hydroxypentan-3-yl)-3-(2-methyl-4-propoxyphenyl)urea?
The InChIKey is AIWGCEIBNUEISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-4-10-21-14-6-7-15(12(3)11-14)18-16(20)17-13(5-2)8-9-19/h6-7,11,13,19H,4-5,8-10H2,1-3H3,(H2,17,18,20).
What are the key properties of 1-(1-hydroxypentan-3-yl)-3-(2-methyl-4-propoxyphenyl)urea?
1-(1-hydroxypentan-3-yl)-3-(2-methyl-4-propoxyphenyl)urea has a molecular weight of 294.40 g/mol, XLogP of 3.07, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxypentan-3-yl)-3-(2-methyl-4-propoxyphenyl)urea is sourced from PubChem (CID 111453173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).