1-(cyclopentylmethyl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea

C17H27N3O — CID 63657389

IUPAC1-(cyclopentylmethyl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea
SMILESCNC(C)c1cccc(NC(=O)N(C)CC2CCCC2)c1
InChIInChI=1S/C17H27N3O/c1-13(18-2)15-9-6-10-16(11-15)19-17(21)20(3)12-14-7-4-5-8-14/h6,9-11,13-14,18H,4-5,7-8,12H2,1-3H3,(H,19,21)
InChIKeyPRHUPHDDMDHYND-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.62
Rot. Bonds5

About 1-(cyclopentylmethyl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea

1-(cyclopentylmethyl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea (PubChem CID 63657389) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-(cyclopentylmethyl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea.

Molecular Properties

Compound Name1-(cyclopentylmethyl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea
PubChem CID63657389
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name1-(cyclopentylmethyl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea
SMILESCNC(C)c1cccc(NC(=O)N(C)CC2CCCC2)c1
InChIInChI=1S/C17H27N3O/c1-13(18-2)15-9-6-10-16(11-15)19-17(21)20(3)12-14-7-4-5-8-14/h6,9-11,13-14,18H,4-5,7-8,12H2,1-3H3,(H,19,21)
InChIKeyPRHUPHDDMDHYND-UHFFFAOYSA-N
XLogP3.62
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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

2-cyclobutyl-N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 103162221
1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]-1-(2-methylbutyl)urea
CID 61339498
1-(3-methoxypropyl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea
CID 63008742
1-(2-ethoxyethyl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea
CID 81062754
1-(1-hydroxypropan-2-yl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea
CID 104553891
N-[3-[1-(methylamino)ethyl]phenyl]cyclobutanecarboxamide
CID 43507810
1-(furan-3-ylmethyl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea
CID 61426804
1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]-1-(thiophen-3-ylmethyl)urea
CID 61340217
N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43200396
1-(cyclobutylmethyl)-3-[4-[1-(ethylamino)ethyl]phenyl]-1-methylurea
CID 62854786
1-(2-hydroxycyclohexyl)-3-[3-[1-(methylamino)ethyl]phenyl]urea
CID 62359300
1-cyclopropyl-1-(cyclopropylmethyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 64521431

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethyl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea?
The IUPAC name of 1-(cyclopentylmethyl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea (CID 63657389) is 1-(cyclopentylmethyl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea.
What is the SMILES notation for 1-(cyclopentylmethyl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea?
The canonical SMILES for 1-(cyclopentylmethyl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea is CNC(C)c1cccc(NC(=O)N(C)CC2CCCC2)c1.
What is the InChIKey of 1-(cyclopentylmethyl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea?
The InChIKey is PRHUPHDDMDHYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13(18-2)15-9-6-10-16(11-15)19-17(21)20(3)12-14-7-4-5-8-14/h6,9-11,13-14,18H,4-5,7-8,12H2,1-3H3,(H,19,21).
What are the key properties of 1-(cyclopentylmethyl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea?
1-(cyclopentylmethyl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea has a molecular weight of 289.42 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethyl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea is sourced from PubChem (CID 63657389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).