1-cyclobutyl-3-[4-[1-(ethylamino)ethyl]phenyl]urea

C15H23N3O — CID 62414062

IUPAC1-cyclobutyl-3-[4-[1-(ethylamino)ethyl]phenyl]urea
SMILESCCNC(C)c1ccc(NC(=O)NC2CCC2)cc1
InChIInChI=1S/C15H23N3O/c1-3-16-11(2)12-7-9-14(10-8-12)18-15(19)17-13-5-4-6-13/h7-11,13,16H,3-6H2,1-2H3,(H2,17,18,19)
InChIKeyZLAVTOOTMAXVAL-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.03
Rot. Bonds5

About 1-cyclobutyl-3-[4-[1-(ethylamino)ethyl]phenyl]urea

1-cyclobutyl-3-[4-[1-(ethylamino)ethyl]phenyl]urea (PubChem CID 62414062) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-cyclobutyl-3-[4-[1-(ethylamino)ethyl]phenyl]urea.

Molecular Properties

Compound Name1-cyclobutyl-3-[4-[1-(ethylamino)ethyl]phenyl]urea
PubChem CID62414062
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-cyclobutyl-3-[4-[1-(ethylamino)ethyl]phenyl]urea
SMILESCCNC(C)c1ccc(NC(=O)NC2CCC2)cc1
InChIInChI=1S/C15H23N3O/c1-3-16-11(2)12-7-9-14(10-8-12)18-15(19)17-13-5-4-6-13/h7-11,13,16H,3-6H2,1-2H3,(H2,17,18,19)
InChIKeyZLAVTOOTMAXVAL-UHFFFAOYSA-N
XLogP3.03
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(1-aminoethyl)phenyl]-3-cyclobutylurea
CID 62414254
1-(cyclopropylmethyl)-3-[4-[1-(ethylamino)ethyl]phenyl]urea
CID 61341452
1-cyclobutyl-3-[2-[1-(ethylamino)ethyl]phenyl]urea
CID 116658189
1-(1-cyclopropylpropan-2-yl)-3-[4-[1-(ethylamino)ethyl]phenyl]urea
CID 63995785
1-cyclopropyl-3-[4-[1-[[3-(dimethylamino)cyclohexyl]amino]ethyl]phenyl]urea
CID 75428567
1-(cyclobutylmethyl)-3-[4-[1-(ethylamino)ethyl]phenyl]-1-methylurea
CID 62854786
3-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]propanamide
CID 119295841
N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]pyrrolidine-1-carboxamide
CID 87008083
1-[4-[1-(methylamino)ethyl]phenyl]-3-(1-methylpiperidin-4-yl)urea
CID 61340940
4-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]pentanamide
CID 120560719
1-[4-(butan-2-ylamino)phenyl]-3-cyclopropylurea
CID 112980511
4-(cyclohexylcarbamoylamino)-N-ethylbenzamide
CID 17234323

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-[4-[1-(ethylamino)ethyl]phenyl]urea?
The IUPAC name of 1-cyclobutyl-3-[4-[1-(ethylamino)ethyl]phenyl]urea (CID 62414062) is 1-cyclobutyl-3-[4-[1-(ethylamino)ethyl]phenyl]urea.
What is the SMILES notation for 1-cyclobutyl-3-[4-[1-(ethylamino)ethyl]phenyl]urea?
The canonical SMILES for 1-cyclobutyl-3-[4-[1-(ethylamino)ethyl]phenyl]urea is CCNC(C)c1ccc(NC(=O)NC2CCC2)cc1.
What is the InChIKey of 1-cyclobutyl-3-[4-[1-(ethylamino)ethyl]phenyl]urea?
The InChIKey is ZLAVTOOTMAXVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-3-16-11(2)12-7-9-14(10-8-12)18-15(19)17-13-5-4-6-13/h7-11,13,16H,3-6H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-cyclobutyl-3-[4-[1-(ethylamino)ethyl]phenyl]urea?
1-cyclobutyl-3-[4-[1-(ethylamino)ethyl]phenyl]urea has a molecular weight of 261.37 g/mol, XLogP of 3.03, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-[4-[1-(ethylamino)ethyl]phenyl]urea is sourced from PubChem (CID 62414062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).