[4-[1-[(1-ethylcyclopropyl)methylamino]ethyl]phenyl]urea

C15H23N3O — CID 103903124

IUPAC[4-[1-[(1-ethylcyclopropyl)methylamino]ethyl]phenyl]urea
SMILESCCC1(CNC(C)c2ccc(NC(N)=O)cc2)CC1
InChIInChI=1S/C15H23N3O/c1-3-15(8-9-15)10-17-11(2)12-4-6-13(7-5-12)18-14(16)19/h4-7,11,17H,3,8-10H2,1-2H3,(H3,16,18,19)
InChIKeyPOAIWZUXOLXPIV-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.02
Rot. Bonds6

About [4-[1-[(1-ethylcyclopropyl)methylamino]ethyl]phenyl]urea

[4-[1-[(1-ethylcyclopropyl)methylamino]ethyl]phenyl]urea (PubChem CID 103903124) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is [4-[1-[(1-ethylcyclopropyl)methylamino]ethyl]phenyl]urea.

Molecular Properties

Compound Name[4-[1-[(1-ethylcyclopropyl)methylamino]ethyl]phenyl]urea
PubChem CID103903124
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name[4-[1-[(1-ethylcyclopropyl)methylamino]ethyl]phenyl]urea
SMILESCCC1(CNC(C)c2ccc(NC(N)=O)cc2)CC1
InChIInChI=1S/C15H23N3O/c1-3-15(8-9-15)10-17-11(2)12-4-6-13(7-5-12)18-14(16)19/h4-7,11,17H,3,8-10H2,1-2H3,(H3,16,18,19)
InChIKeyPOAIWZUXOLXPIV-UHFFFAOYSA-N
XLogP3.02
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-ethylcyclopropyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 103734794
[4-[1-(cyclobutylmethylamino)ethyl]phenyl]urea
CID 43775240
[4-[1-[2-(dimethylamino)ethylamino]ethyl]phenyl]urea
CID 43754835
[4-[1-(2,2-dimethylbutylamino)ethyl]phenyl]urea
CID 103699485
2-[(1-ethylcyclopropyl)methylamino]-N-(4-methylphenyl)propanamide
CID 103734805
[4-[1-(pentan-3-ylamino)ethyl]phenyl]urea
CID 43750016
[4-[1-(2-methylsulfanylpropylamino)ethyl]phenyl]urea
CID 113349040
[4-[1-[(2-methyl-3-methylsulfanylpropyl)amino]ethyl]phenyl]urea
CID 63983873
[4-[1-[3-(diethylamino)propylamino]ethyl]phenyl]urea
CID 43763193
[4-[1-[[2-(hydroxymethyl)-2-methylbutyl]amino]ethyl]phenyl]urea
CID 81418585
4-[1-[[1-(hydroxymethyl)cyclopropyl]methylamino]ethyl]phenol
CID 115454338
[4-[1-(2-phenylethylamino)ethyl]phenyl]urea
CID 43749979

Frequently Asked Questions

What is the IUPAC name of [4-[1-[(1-ethylcyclopropyl)methylamino]ethyl]phenyl]urea?
The IUPAC name of [4-[1-[(1-ethylcyclopropyl)methylamino]ethyl]phenyl]urea (CID 103903124) is [4-[1-[(1-ethylcyclopropyl)methylamino]ethyl]phenyl]urea.
What is the SMILES notation for [4-[1-[(1-ethylcyclopropyl)methylamino]ethyl]phenyl]urea?
The canonical SMILES for [4-[1-[(1-ethylcyclopropyl)methylamino]ethyl]phenyl]urea is CCC1(CNC(C)c2ccc(NC(N)=O)cc2)CC1.
What is the InChIKey of [4-[1-[(1-ethylcyclopropyl)methylamino]ethyl]phenyl]urea?
The InChIKey is POAIWZUXOLXPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-3-15(8-9-15)10-17-11(2)12-4-6-13(7-5-12)18-14(16)19/h4-7,11,17H,3,8-10H2,1-2H3,(H3,16,18,19).
What are the key properties of [4-[1-[(1-ethylcyclopropyl)methylamino]ethyl]phenyl]urea?
[4-[1-[(1-ethylcyclopropyl)methylamino]ethyl]phenyl]urea has a molecular weight of 261.37 g/mol, XLogP of 3.02, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[(1-ethylcyclopropyl)methylamino]ethyl]phenyl]urea is sourced from PubChem (CID 103903124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).