1-[1-(4-ethoxyphenyl)ethyl]-3-(1-hydroxybutan-2-yl)urea

C15H24N2O3 — CID 110892427

IUPAC1-[1-(4-ethoxyphenyl)ethyl]-3-(1-hydroxybutan-2-yl)urea
SMILESCCOc1ccc(C(C)NC(=O)NC(CC)CO)cc1
InChIInChI=1S/C15H24N2O3/c1-4-13(10-18)17-15(19)16-11(3)12-6-8-14(9-7-12)20-5-2/h6-9,11,13,18H,4-5,10H2,1-3H3,(H2,16,17,19)
InChIKeyCTPVGCFGOBGUDL-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.22
Rot. Bonds7

About 1-[1-(4-ethoxyphenyl)ethyl]-3-(1-hydroxybutan-2-yl)urea

1-[1-(4-ethoxyphenyl)ethyl]-3-(1-hydroxybutan-2-yl)urea (PubChem CID 110892427) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-[1-(4-ethoxyphenyl)ethyl]-3-(1-hydroxybutan-2-yl)urea.

Molecular Properties

Compound Name1-[1-(4-ethoxyphenyl)ethyl]-3-(1-hydroxybutan-2-yl)urea
PubChem CID110892427
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-[1-(4-ethoxyphenyl)ethyl]-3-(1-hydroxybutan-2-yl)urea
SMILESCCOc1ccc(C(C)NC(=O)NC(CC)CO)cc1
InChIInChI=1S/C15H24N2O3/c1-4-13(10-18)17-15(19)16-11(3)12-6-8-14(9-7-12)20-5-2/h6-9,11,13,18H,4-5,10H2,1-3H3,(H2,16,17,19)
InChIKeyCTPVGCFGOBGUDL-UHFFFAOYSA-N
XLogP2.22
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-hydroxybutan-2-yl)-3-[1-(4-methylphenyl)ethyl]urea
CID 110901106
1-[1-(3,5-dimethylphenyl)ethyl]-3-(1-hydroxybutan-2-yl)urea
CID 111108490
2-amino-N-[1-(4-ethoxyphenyl)ethyl]butanamide
CID 43713696
1-[(4-ethoxyphenoxy)methyl]-3-[1-(4-methoxyphenyl)ethyl]urea
CID 108890683
(2S)-2-amino-N-[1-(4-ethoxyphenyl)ethyl]-3-methylpentanamide
CID 61174084
1-(4-ethoxyphenyl)-3-[(1S)-1-pyridin-4-ylethyl]urea
CID 40637158
1-[(4-ethoxyphenoxy)methyl]-3-[1-(4-ethylphenyl)ethyl]urea
CID 108890686
1-(4-ethoxyphenyl)-3-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]urea
CID 60586866
2-ethoxy-N-[1-(4-ethoxyphenyl)ethyl]acetamide
CID 60706778
1-[1-(4-butoxyphenyl)ethyl]-3-hydroxyurea
CID 19804452
1-(4-ethoxyphenyl)-3-(1-hydroxypentan-3-yl)urea
CID 111452541
1-[(2S)-1-hydroxybutan-2-yl]-3-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]urea
CID 97096200

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-ethoxyphenyl)ethyl]-3-(1-hydroxybutan-2-yl)urea?
The IUPAC name of 1-[1-(4-ethoxyphenyl)ethyl]-3-(1-hydroxybutan-2-yl)urea (CID 110892427) is 1-[1-(4-ethoxyphenyl)ethyl]-3-(1-hydroxybutan-2-yl)urea.
What is the SMILES notation for 1-[1-(4-ethoxyphenyl)ethyl]-3-(1-hydroxybutan-2-yl)urea?
The canonical SMILES for 1-[1-(4-ethoxyphenyl)ethyl]-3-(1-hydroxybutan-2-yl)urea is CCOc1ccc(C(C)NC(=O)NC(CC)CO)cc1.
What is the InChIKey of 1-[1-(4-ethoxyphenyl)ethyl]-3-(1-hydroxybutan-2-yl)urea?
The InChIKey is CTPVGCFGOBGUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-4-13(10-18)17-15(19)16-11(3)12-6-8-14(9-7-12)20-5-2/h6-9,11,13,18H,4-5,10H2,1-3H3,(H2,16,17,19).
What are the key properties of 1-[1-(4-ethoxyphenyl)ethyl]-3-(1-hydroxybutan-2-yl)urea?
1-[1-(4-ethoxyphenyl)ethyl]-3-(1-hydroxybutan-2-yl)urea has a molecular weight of 280.37 g/mol, XLogP of 2.22, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-ethoxyphenyl)ethyl]-3-(1-hydroxybutan-2-yl)urea is sourced from PubChem (CID 110892427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).