1-[3-(diethylamino)propyl]-3-(4-ethoxyphenyl)urea

C16H27N3O2 — CID 3669043

IUPAC1-[3-(diethylamino)propyl]-3-(4-ethoxyphenyl)urea
SMILESCCOc1ccc(NC(=O)NCCCN(CC)CC)cc1
InChIInChI=1S/C16H27N3O2/c1-4-19(5-2)13-7-12-17-16(20)18-14-8-10-15(11-9-14)21-6-3/h8-11H,4-7,12-13H2,1-3H3,(H2,17,18,20)
InChIKeyJZAGSKDMZJCGLQ-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.94
Rot. Bonds9

About 1-[3-(diethylamino)propyl]-3-(4-ethoxyphenyl)urea

1-[3-(diethylamino)propyl]-3-(4-ethoxyphenyl)urea (PubChem CID 3669043) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-[3-(diethylamino)propyl]-3-(4-ethoxyphenyl)urea.

Molecular Properties

Compound Name1-[3-(diethylamino)propyl]-3-(4-ethoxyphenyl)urea
PubChem CID3669043
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name1-[3-(diethylamino)propyl]-3-(4-ethoxyphenyl)urea
SMILESCCOc1ccc(NC(=O)NCCCN(CC)CC)cc1
InChIInChI=1S/C16H27N3O2/c1-4-19(5-2)13-7-12-17-16(20)18-14-8-10-15(11-9-14)21-6-3/h8-11H,4-7,12-13H2,1-3H3,(H2,17,18,20)
InChIKeyJZAGSKDMZJCGLQ-UHFFFAOYSA-N
XLogP2.94
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(diethylamino)propyl]-N'-(4-ethoxyphenyl)oxamide
CID 108514450
1-[3-(diethylamino)propyl]-3-(4-methylphenyl)urea
CID 4604027
1-(4-ethoxyphenyl)-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]urea
CID 47034682
N-[4-[2-(4-ethoxyphenoxy)ethylcarbamoylamino]phenyl]acetamide
CID 112973214
1-(4-ethoxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883788
1-[2-(4-chlorophenoxy)ethyl]-3-(4-ethoxyphenyl)urea
CID 112970962
1-[4-(diethylamino)phenyl]-3-[(4-ethoxyphenoxy)methyl]urea
CID 108890846
2-[(4-ethoxyphenyl)carbamoylamino]acetic acid
CID 12856017
N-[4-[3-(diethylamino)propoxy]phenyl]propanamide
CID 174597936
[4-[3-(dimethylamino)propylcarbamoylamino]phenyl] ethyl carbonate
CID 108865603
1-N-[3-(dimethylamino)propyl]-4-N-(4-ethoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109147324
1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-(4-ethoxyphenyl)urea
CID 112975715

Frequently Asked Questions

What is the IUPAC name of 1-[3-(diethylamino)propyl]-3-(4-ethoxyphenyl)urea?
The IUPAC name of 1-[3-(diethylamino)propyl]-3-(4-ethoxyphenyl)urea (CID 3669043) is 1-[3-(diethylamino)propyl]-3-(4-ethoxyphenyl)urea.
What is the SMILES notation for 1-[3-(diethylamino)propyl]-3-(4-ethoxyphenyl)urea?
The canonical SMILES for 1-[3-(diethylamino)propyl]-3-(4-ethoxyphenyl)urea is CCOc1ccc(NC(=O)NCCCN(CC)CC)cc1.
What is the InChIKey of 1-[3-(diethylamino)propyl]-3-(4-ethoxyphenyl)urea?
The InChIKey is JZAGSKDMZJCGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-4-19(5-2)13-7-12-17-16(20)18-14-8-10-15(11-9-14)21-6-3/h8-11H,4-7,12-13H2,1-3H3,(H2,17,18,20).
What are the key properties of 1-[3-(diethylamino)propyl]-3-(4-ethoxyphenyl)urea?
1-[3-(diethylamino)propyl]-3-(4-ethoxyphenyl)urea has a molecular weight of 293.41 g/mol, XLogP of 2.94, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(diethylamino)propyl]-3-(4-ethoxyphenyl)urea is sourced from PubChem (CID 3669043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).