1-(cyclobutylmethyl)-3-[4-[1-(ethylamino)ethyl]phenyl]-1-methylurea

C17H27N3O — CID 62854786

IUPAC1-(cyclobutylmethyl)-3-[4-[1-(ethylamino)ethyl]phenyl]-1-methylurea
SMILESCCNC(C)c1ccc(NC(=O)N(C)CC2CCC2)cc1
InChIInChI=1S/C17H27N3O/c1-4-18-13(2)15-8-10-16(11-9-15)19-17(21)20(3)12-14-6-5-7-14/h8-11,13-14,18H,4-7,12H2,1-3H3,(H,19,21)
InChIKeyIDBHIEFYFKTFGN-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.62
Rot. Bonds6

About 1-(cyclobutylmethyl)-3-[4-[1-(ethylamino)ethyl]phenyl]-1-methylurea

1-(cyclobutylmethyl)-3-[4-[1-(ethylamino)ethyl]phenyl]-1-methylurea (PubChem CID 62854786) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-3-[4-[1-(ethylamino)ethyl]phenyl]-1-methylurea.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-3-[4-[1-(ethylamino)ethyl]phenyl]-1-methylurea
PubChem CID62854786
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name1-(cyclobutylmethyl)-3-[4-[1-(ethylamino)ethyl]phenyl]-1-methylurea
SMILESCCNC(C)c1ccc(NC(=O)N(C)CC2CCC2)cc1
InChIInChI=1S/C17H27N3O/c1-4-18-13(2)15-8-10-16(11-9-15)19-17(21)20(3)12-14-6-5-7-14/h8-11,13-14,18H,4-7,12H2,1-3H3,(H,19,21)
InChIKeyIDBHIEFYFKTFGN-UHFFFAOYSA-N
XLogP3.62
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-[1-(ethylamino)ethyl]phenyl]-1-(2-hydroxypropyl)-1-methylurea
CID 62338403
1-(2-ethoxyethyl)-3-[4-[1-(ethylamino)ethyl]phenyl]-1-methylurea
CID 81043794
1-cyclobutyl-3-[4-[1-(ethylamino)ethyl]phenyl]urea
CID 62414062
4-[[cyclopentylmethyl(methyl)carbamoyl]amino]benzoic acid
CID 63656761
3-[4-[1-(ethylamino)ethyl]phenyl]-1-methyl-1-(oxolan-3-yl)urea
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1,1-bis(cyanomethyl)-3-[4-[1-(ethylamino)ethyl]phenyl]urea
CID 61342198
3-[4-[1-(ethylamino)ethyl]phenyl]-1-methyl-1-(2-methylbutan-2-yl)urea
CID 63962271
1-(cyclopropylmethyl)-3-[4-[1-(ethylamino)ethyl]phenyl]urea
CID 61341452
3-[4-(1-aminoethyl)phenyl]-1-(cyclobutylmethyl)-1-ethylurea
CID 107400737
3-[4-[[cyclobutylmethyl(methyl)carbamoyl]amino]phenyl]prop-2-enoic acid
CID 76950847
2-[4-[[cyclobutylmethyl(methyl)carbamoyl]amino]phenoxy]acetic acid
CID 63772383
1-(cyclopentylmethyl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea
CID 63657389

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-3-[4-[1-(ethylamino)ethyl]phenyl]-1-methylurea?
The IUPAC name of 1-(cyclobutylmethyl)-3-[4-[1-(ethylamino)ethyl]phenyl]-1-methylurea (CID 62854786) is 1-(cyclobutylmethyl)-3-[4-[1-(ethylamino)ethyl]phenyl]-1-methylurea.
What is the SMILES notation for 1-(cyclobutylmethyl)-3-[4-[1-(ethylamino)ethyl]phenyl]-1-methylurea?
The canonical SMILES for 1-(cyclobutylmethyl)-3-[4-[1-(ethylamino)ethyl]phenyl]-1-methylurea is CCNC(C)c1ccc(NC(=O)N(C)CC2CCC2)cc1.
What is the InChIKey of 1-(cyclobutylmethyl)-3-[4-[1-(ethylamino)ethyl]phenyl]-1-methylurea?
The InChIKey is IDBHIEFYFKTFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-18-13(2)15-8-10-16(11-9-15)19-17(21)20(3)12-14-6-5-7-14/h8-11,13-14,18H,4-7,12H2,1-3H3,(H,19,21).
What are the key properties of 1-(cyclobutylmethyl)-3-[4-[1-(ethylamino)ethyl]phenyl]-1-methylurea?
1-(cyclobutylmethyl)-3-[4-[1-(ethylamino)ethyl]phenyl]-1-methylurea has a molecular weight of 289.42 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-3-[4-[1-(ethylamino)ethyl]phenyl]-1-methylurea is sourced from PubChem (CID 62854786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).