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

C14H22N2O3 — CID 108884453

IUPAC3-[(4-ethoxyphenyl)methyl]-1-ethyl-1-(2-hydroxyethyl)urea
SMILESCCOc1ccc(CNC(=O)N(CC)CCO)cc1
InChIInChI=1S/C14H22N2O3/c1-3-16(9-10-17)14(18)15-11-12-5-7-13(8-6-12)19-4-2/h5-8,17H,3-4,9-11H2,1-2H3,(H,15,18)
InChIKeyMLANNVQZADEKJC-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.61
Rot. Bonds7

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

3-[(4-ethoxyphenyl)methyl]-1-ethyl-1-(2-hydroxyethyl)urea (PubChem CID 108884453) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-[(4-ethoxyphenyl)methyl]-1-ethyl-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name3-[(4-ethoxyphenyl)methyl]-1-ethyl-1-(2-hydroxyethyl)urea
PubChem CID108884453
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name3-[(4-ethoxyphenyl)methyl]-1-ethyl-1-(2-hydroxyethyl)urea
SMILESCCOc1ccc(CNC(=O)N(CC)CCO)cc1
InChIInChI=1S/C14H22N2O3/c1-3-16(9-10-17)14(18)15-11-12-5-7-13(8-6-12)19-4-2/h5-8,17H,3-4,9-11H2,1-2H3,(H,15,18)
InChIKeyMLANNVQZADEKJC-UHFFFAOYSA-N
XLogP1.61
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-ethoxyphenyl)methyl]-1,1-dipropylurea
CID 108884488
1-ethyl-1-(2-hydroxyethyl)-3-[(4-hydroxyphenyl)methyl]urea
CID 110895646
3-[(4-tert-butylphenyl)methyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 110910290
3-[(4-ethoxyphenyl)methyl]-1,1-bis(prop-2-enyl)urea
CID 108884391
1,1-diethyl-3-[(4-methoxyphenyl)methyl]urea
CID 2988168
1,1-diethyl-3-[[4-(2-methylpropoxy)phenyl]methyl]urea
CID 60547827
N,N'-bis[(4-ethoxyphenyl)methyl]oxamide
CID 125144939
1-[(4-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)urea
CID 108884480
N,N-diethyl-2-[4-[(2-hydroxyethylamino)methyl]phenoxy]acetamide
CID 82364486
1-[(4-ethoxyphenyl)methyl]-3-ethylurea
CID 108884423
4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 3528873
3-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 49133984

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxyphenyl)methyl]-1-ethyl-1-(2-hydroxyethyl)urea?
The IUPAC name of 3-[(4-ethoxyphenyl)methyl]-1-ethyl-1-(2-hydroxyethyl)urea (CID 108884453) is 3-[(4-ethoxyphenyl)methyl]-1-ethyl-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 3-[(4-ethoxyphenyl)methyl]-1-ethyl-1-(2-hydroxyethyl)urea?
The canonical SMILES for 3-[(4-ethoxyphenyl)methyl]-1-ethyl-1-(2-hydroxyethyl)urea is CCOc1ccc(CNC(=O)N(CC)CCO)cc1.
What is the InChIKey of 3-[(4-ethoxyphenyl)methyl]-1-ethyl-1-(2-hydroxyethyl)urea?
The InChIKey is MLANNVQZADEKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-3-16(9-10-17)14(18)15-11-12-5-7-13(8-6-12)19-4-2/h5-8,17H,3-4,9-11H2,1-2H3,(H,15,18).
What are the key properties of 3-[(4-ethoxyphenyl)methyl]-1-ethyl-1-(2-hydroxyethyl)urea?
3-[(4-ethoxyphenyl)methyl]-1-ethyl-1-(2-hydroxyethyl)urea has a molecular weight of 266.34 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxyphenyl)methyl]-1-ethyl-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 108884453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).