1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-(2-methyl-4-propoxyphenyl)urea

C17H28N2O3 — CID 111926080

IUPAC1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-(2-methyl-4-propoxyphenyl)urea
SMILESCCCOc1ccc(NC(=O)N(CC)CC(C)(C)O)c(C)c1
InChIInChI=1S/C17H28N2O3/c1-6-10-22-14-8-9-15(13(3)11-14)18-16(20)19(7-2)12-17(4,5)21/h8-9,11,21H,6-7,10,12H2,1-5H3,(H,18,20)
InChIKeyPTCWWUZIGWANKG-UHFFFAOYSA-N
MW308.42 g/mol
LogP3.41
Rot. Bonds7

About 1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-(2-methyl-4-propoxyphenyl)urea

1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-(2-methyl-4-propoxyphenyl)urea (PubChem CID 111926080) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is 1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-(2-methyl-4-propoxyphenyl)urea.

Molecular Properties

Compound Name1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-(2-methyl-4-propoxyphenyl)urea
PubChem CID111926080
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-(2-methyl-4-propoxyphenyl)urea
SMILESCCCOc1ccc(NC(=O)N(CC)CC(C)(C)O)c(C)c1
InChIInChI=1S/C17H28N2O3/c1-6-10-22-14-8-9-15(13(3)11-14)18-16(20)19(7-2)12-17(4,5)21/h8-9,11,21H,6-7,10,12H2,1-5H3,(H,18,20)
InChIKeyPTCWWUZIGWANKG-UHFFFAOYSA-N
XLogP3.41
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methyl-4-propoxyphenyl)carbamic acid
CID 118108315
1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-(2-methoxy-4-methylphenyl)urea
CID 111926113
3-hydroxy-N-(2-methyl-4-propoxyphenyl)-3-phenylbutanamide
CID 110024948
5-[(2-methyl-4-propoxyphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120685180
3-(2-ethoxy-4-fluorophenyl)-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea
CID 111790631
1-[2-(dimethylamino)ethyl]-3-(2-methyl-4-propoxyphenyl)-1-(pyridin-3-ylmethyl)urea
CID 87035630
2-[ethyl-[(4-methoxy-2-methylphenyl)carbamoyl]amino]acetic acid
CID 55129490
tert-butyl N-(4-butoxy-2-methylphenyl)carbamate
CID 140675962
1-(2-hydroxyethyl)-3-(2-methyl-4-propoxyphenyl)urea
CID 47326596
3-[(4-butoxy-2-methylphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122077403
3-amino-N-(2-methyl-4-propoxyphenyl)butanamide;hydrochloride
CID 119739467
4-amino-N-(2-methyl-4-propoxyphenyl)pentanamide
CID 120560885

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-(2-methyl-4-propoxyphenyl)urea?
The IUPAC name of 1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-(2-methyl-4-propoxyphenyl)urea (CID 111926080) is 1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-(2-methyl-4-propoxyphenyl)urea.
What is the SMILES notation for 1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-(2-methyl-4-propoxyphenyl)urea?
The canonical SMILES for 1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-(2-methyl-4-propoxyphenyl)urea is CCCOc1ccc(NC(=O)N(CC)CC(C)(C)O)c(C)c1.
What is the InChIKey of 1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-(2-methyl-4-propoxyphenyl)urea?
The InChIKey is PTCWWUZIGWANKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-6-10-22-14-8-9-15(13(3)11-14)18-16(20)19(7-2)12-17(4,5)21/h8-9,11,21H,6-7,10,12H2,1-5H3,(H,18,20).
What are the key properties of 1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-(2-methyl-4-propoxyphenyl)urea?
1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-(2-methyl-4-propoxyphenyl)urea has a molecular weight of 308.42 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-(2-methyl-4-propoxyphenyl)urea is sourced from PubChem (CID 111926080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).