1-[(4-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)urea

C12H18N2O3 — CID 108884480

IUPAC1-[(4-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)urea
SMILESCCOc1ccc(CNC(=O)NCCO)cc1
InChIInChI=1S/C12H18N2O3/c1-2-17-11-5-3-10(4-6-11)9-14-12(16)13-7-8-15/h3-6,15H,2,7-9H2,1H3,(H2,13,14,16)
InChIKeyNCRPTCNYAONEHF-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.88
Rot. Bonds6

About 1-[(4-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)urea

1-[(4-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)urea (PubChem CID 108884480) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-[(4-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-[(4-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)urea
PubChem CID108884480
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name1-[(4-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)urea
SMILESCCOc1ccc(CNC(=O)NCCO)cc1
InChIInChI=1S/C12H18N2O3/c1-2-17-11-5-3-10(4-6-11)9-14-12(16)13-7-8-15/h3-6,15H,2,7-9H2,1H3,(H2,13,14,16)
InChIKeyNCRPTCNYAONEHF-UHFFFAOYSA-N
XLogP0.88
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-ethoxyphenyl)methyl]-3-ethylurea
CID 108884423
3-[(4-ethoxyphenyl)methylcarbamoylamino]propanoic acid
CID 108884286
1-[(3-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)urea
CID 110894196
1-[(4-ethoxyphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 108884612
1-[2-(4-bromophenyl)ethyl]-3-[(4-ethoxyphenyl)methyl]urea
CID 108884614
1-[2-(4-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea
CID 3856338
N-[3-[(4-ethoxyphenyl)methylcarbamoylamino]propyl]formamide
CID 108884490
N,N'-bis[(4-ethoxyphenyl)methyl]oxamide
CID 125144939
1-[(4-ethoxyphenyl)methyl]-3-prop-2-enylurea
CID 108884465
1-[(4-ethoxyphenyl)methyl]-3-(1-hydroxy-2-methylpropan-2-yl)urea
CID 108884584
1-(2-hydroxyethyl)-3-[(4-hydroxyphenyl)methyl]urea
CID 110894145
1-[2-(3-bromophenyl)ethyl]-3-[(4-ethoxyphenyl)methyl]urea
CID 108884611

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)urea?
The IUPAC name of 1-[(4-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)urea (CID 108884480) is 1-[(4-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-[(4-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)urea?
The canonical SMILES for 1-[(4-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)urea is CCOc1ccc(CNC(=O)NCCO)cc1.
What is the InChIKey of 1-[(4-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)urea?
The InChIKey is NCRPTCNYAONEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-2-17-11-5-3-10(4-6-11)9-14-12(16)13-7-8-15/h3-6,15H,2,7-9H2,1H3,(H2,13,14,16).
What are the key properties of 1-[(4-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)urea?
1-[(4-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)urea has a molecular weight of 238.29 g/mol, XLogP of 0.88, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)urea is sourced from PubChem (CID 108884480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).