[4-[1-[3-(diethylamino)propylamino]ethyl]phenyl]urea

C16H28N4O — CID 43763193

IUPAC[4-[1-[3-(diethylamino)propylamino]ethyl]phenyl]urea
SMILESCCN(CC)CCCNC(C)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C16H28N4O/c1-4-20(5-2)12-6-11-18-13(3)14-7-9-15(10-8-14)19-16(17)21/h7-10,13,18H,4-6,11-12H2,1-3H3,(H3,17,19,21)
InChIKeyWCHKZPINMKKUDG-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.56
Rot. Bonds9

About [4-[1-[3-(diethylamino)propylamino]ethyl]phenyl]urea

[4-[1-[3-(diethylamino)propylamino]ethyl]phenyl]urea (PubChem CID 43763193) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is [4-[1-[3-(diethylamino)propylamino]ethyl]phenyl]urea.

Molecular Properties

Compound Name[4-[1-[3-(diethylamino)propylamino]ethyl]phenyl]urea
PubChem CID43763193
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name[4-[1-[3-(diethylamino)propylamino]ethyl]phenyl]urea
SMILESCCN(CC)CCCNC(C)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C16H28N4O/c1-4-20(5-2)12-6-11-18-13(3)14-7-9-15(10-8-14)19-16(17)21/h7-10,13,18H,4-6,11-12H2,1-3H3,(H3,17,19,21)
InChIKeyWCHKZPINMKKUDG-UHFFFAOYSA-N
XLogP2.56
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-[1-[2-(dimethylamino)ethylamino]ethyl]phenyl]urea
CID 43754835
[4-[1-(5-methylsulfanylpentylamino)ethyl]phenyl]urea
CID 104926294
[4-[1-(2-phenylethylamino)ethyl]phenyl]urea
CID 43749979
[4-[1-(2,2-dimethylbutylamino)ethyl]phenyl]urea
CID 103699485
[4-[1-(pentan-3-ylamino)ethyl]phenyl]urea
CID 43750016
2-bromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]acetamide
CID 63678917
[4-[1-(2-methylsulfanylpropylamino)ethyl]phenyl]urea
CID 113349040
[4-[1-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]urea
CID 81350343
[4-[1-[(1-ethylcyclopropyl)methylamino]ethyl]phenyl]urea
CID 103903124
[4-[1-[(2-methyl-3-methylsulfanylpropyl)amino]ethyl]phenyl]urea
CID 63983873
N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]pentanamide
CID 94066123
[4-[1-(cyclobutylmethylamino)ethyl]phenyl]urea
CID 43775240

Frequently Asked Questions

What is the IUPAC name of [4-[1-[3-(diethylamino)propylamino]ethyl]phenyl]urea?
The IUPAC name of [4-[1-[3-(diethylamino)propylamino]ethyl]phenyl]urea (CID 43763193) is [4-[1-[3-(diethylamino)propylamino]ethyl]phenyl]urea.
What is the SMILES notation for [4-[1-[3-(diethylamino)propylamino]ethyl]phenyl]urea?
The canonical SMILES for [4-[1-[3-(diethylamino)propylamino]ethyl]phenyl]urea is CCN(CC)CCCNC(C)c1ccc(NC(N)=O)cc1.
What is the InChIKey of [4-[1-[3-(diethylamino)propylamino]ethyl]phenyl]urea?
The InChIKey is WCHKZPINMKKUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-4-20(5-2)12-6-11-18-13(3)14-7-9-15(10-8-14)19-16(17)21/h7-10,13,18H,4-6,11-12H2,1-3H3,(H3,17,19,21).
What are the key properties of [4-[1-[3-(diethylamino)propylamino]ethyl]phenyl]urea?
[4-[1-[3-(diethylamino)propylamino]ethyl]phenyl]urea has a molecular weight of 292.43 g/mol, XLogP of 2.56, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[3-(diethylamino)propylamino]ethyl]phenyl]urea is sourced from PubChem (CID 43763193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).