3-[(4-ethoxyphenyl)methyl]-1,1-dipropylurea

C16H26N2O2 — CID 108884488

IUPAC3-[(4-ethoxyphenyl)methyl]-1,1-dipropylurea
SMILESCCCN(CCC)C(=O)NCc1ccc(OCC)cc1
InChIInChI=1S/C16H26N2O2/c1-4-11-18(12-5-2)16(19)17-13-14-7-9-15(10-8-14)20-6-3/h7-10H,4-6,11-13H2,1-3H3,(H,17,19)
InChIKeyVSMQTJSKROEGBS-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.42
Rot. Bonds8

About 3-[(4-ethoxyphenyl)methyl]-1,1-dipropylurea

3-[(4-ethoxyphenyl)methyl]-1,1-dipropylurea (PubChem CID 108884488) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-[(4-ethoxyphenyl)methyl]-1,1-dipropylurea.

Molecular Properties

Compound Name3-[(4-ethoxyphenyl)methyl]-1,1-dipropylurea
PubChem CID108884488
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-[(4-ethoxyphenyl)methyl]-1,1-dipropylurea
SMILESCCCN(CCC)C(=O)NCc1ccc(OCC)cc1
InChIInChI=1S/C16H26N2O2/c1-4-11-18(12-5-2)16(19)17-13-14-7-9-15(10-8-14)20-6-3/h7-10H,4-6,11-13H2,1-3H3,(H,17,19)
InChIKeyVSMQTJSKROEGBS-UHFFFAOYSA-N
XLogP3.42
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-ethoxyphenyl)methyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 108884453
N,N'-bis[(4-ethoxyphenyl)methyl]oxamide
CID 125144939
3-[(4-ethoxyphenyl)methyl]-1,1-bis(prop-2-enyl)urea
CID 108884391
1-(cyclopropylmethyl)-3-[(4-propoxyphenyl)methyl]-1-propylurea
CID 87004129
4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 3528873
1-[(4-ethoxyphenyl)methyl]-3-ethylurea
CID 108884423
3-[(4-tert-butylphenyl)methyl]-1-(2-hydroxyethyl)-1-propylurea
CID 110910295
1,1-diethyl-3-[[4-(2-methylpropoxy)phenyl]methyl]urea
CID 60547827
N'-[(4-ethoxyphenyl)methyl]oxamide
CID 115191812
1,1-diethyl-3-[(4-methoxyphenyl)methyl]urea
CID 2988168
N-[(4-ethoxyphenyl)methyl]-3-oxobutanamide
CID 115176377
1,1-dibutyl-3-[(4-methylphenyl)methyl]urea
CID 108899090

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxyphenyl)methyl]-1,1-dipropylurea?
The IUPAC name of 3-[(4-ethoxyphenyl)methyl]-1,1-dipropylurea (CID 108884488) is 3-[(4-ethoxyphenyl)methyl]-1,1-dipropylurea.
What is the SMILES notation for 3-[(4-ethoxyphenyl)methyl]-1,1-dipropylurea?
The canonical SMILES for 3-[(4-ethoxyphenyl)methyl]-1,1-dipropylurea is CCCN(CCC)C(=O)NCc1ccc(OCC)cc1.
What is the InChIKey of 3-[(4-ethoxyphenyl)methyl]-1,1-dipropylurea?
The InChIKey is VSMQTJSKROEGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-11-18(12-5-2)16(19)17-13-14-7-9-15(10-8-14)20-6-3/h7-10H,4-6,11-13H2,1-3H3,(H,17,19).
What are the key properties of 3-[(4-ethoxyphenyl)methyl]-1,1-dipropylurea?
3-[(4-ethoxyphenyl)methyl]-1,1-dipropylurea has a molecular weight of 278.40 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxyphenyl)methyl]-1,1-dipropylurea is sourced from PubChem (CID 108884488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).