1-cyclobutyl-3-[2-[1-(ethylamino)ethyl]phenyl]urea

C15H23N3O — CID 116658189

IUPAC1-cyclobutyl-3-[2-[1-(ethylamino)ethyl]phenyl]urea
SMILESCCNC(C)c1ccccc1NC(=O)NC1CCC1
InChIInChI=1S/C15H23N3O/c1-3-16-11(2)13-9-4-5-10-14(13)18-15(19)17-12-7-6-8-12/h4-5,9-12,16H,3,6-8H2,1-2H3,(H2,17,18,19)
InChIKeyKMVWGBZWGZMEFK-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.03
Rot. Bonds5

About 1-cyclobutyl-3-[2-[1-(ethylamino)ethyl]phenyl]urea

1-cyclobutyl-3-[2-[1-(ethylamino)ethyl]phenyl]urea (PubChem CID 116658189) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-cyclobutyl-3-[2-[1-(ethylamino)ethyl]phenyl]urea.

Molecular Properties

Compound Name1-cyclobutyl-3-[2-[1-(ethylamino)ethyl]phenyl]urea
PubChem CID116658189
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-cyclobutyl-3-[2-[1-(ethylamino)ethyl]phenyl]urea
SMILESCCNC(C)c1ccccc1NC(=O)NC1CCC1
InChIInChI=1S/C15H23N3O/c1-3-16-11(2)13-9-4-5-10-14(13)18-15(19)17-12-7-6-8-12/h4-5,9-12,16H,3,6-8H2,1-2H3,(H2,17,18,19)
InChIKeyKMVWGBZWGZMEFK-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

N-[2-[1-(ethylamino)ethyl]phenyl]cyclohexanecarboxamide
CID 43508004
1-cyclobutyl-3-[4-[1-(ethylamino)ethyl]phenyl]urea
CID 62414062
3-[2-[1-(ethylamino)ethyl]phenyl]-1,1-dimethylurea
CID 79154848
1-(3-methylcyclohexyl)-3-(2-propan-2-ylphenyl)urea
CID 47032083
N-[2-[1-(ethylamino)ethyl]phenyl]-5-methyloxolane-2-carboxamide
CID 81329901
N-[2-[1-(ethylamino)ethyl]phenyl]azepane-1-carboxamide
CID 79157491
N-[2-[1-(ethylamino)ethyl]phenyl]-1-methylcyclohexane-1-carboxamide
CID 106826466
N-[2-[1-(ethylamino)ethyl]phenyl]oxolane-3-carboxamide
CID 61272378
N-[2-[1-(ethylamino)ethyl]phenyl]-3,3-dimethylbutanamide
CID 43508002
N-[2-(cyclohexylcarbamoylamino)phenyl]acetamide
CID 113093681
1-cyclobutyl-3-(3-hydroxy-2-methylphenyl)urea
CID 116658389
1-cyclobutyl-3-(2-phenylphenyl)urea
CID 115617882

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-[2-[1-(ethylamino)ethyl]phenyl]urea?
The IUPAC name of 1-cyclobutyl-3-[2-[1-(ethylamino)ethyl]phenyl]urea (CID 116658189) is 1-cyclobutyl-3-[2-[1-(ethylamino)ethyl]phenyl]urea.
What is the SMILES notation for 1-cyclobutyl-3-[2-[1-(ethylamino)ethyl]phenyl]urea?
The canonical SMILES for 1-cyclobutyl-3-[2-[1-(ethylamino)ethyl]phenyl]urea is CCNC(C)c1ccccc1NC(=O)NC1CCC1.
What is the InChIKey of 1-cyclobutyl-3-[2-[1-(ethylamino)ethyl]phenyl]urea?
The InChIKey is KMVWGBZWGZMEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-3-16-11(2)13-9-4-5-10-14(13)18-15(19)17-12-7-6-8-12/h4-5,9-12,16H,3,6-8H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-cyclobutyl-3-[2-[1-(ethylamino)ethyl]phenyl]urea?
1-cyclobutyl-3-[2-[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-[2-[1-(ethylamino)ethyl]phenyl]urea is sourced from PubChem (CID 116658189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).