1-cyclopentyl-1-methyl-3-[4-[1-(methylamino)ethyl]phenyl]urea

C16H25N3O — CID 61339495

IUPAC1-cyclopentyl-1-methyl-3-[4-[1-(methylamino)ethyl]phenyl]urea
SMILESCNC(C)c1ccc(NC(=O)N(C)C2CCCC2)cc1
InChIInChI=1S/C16H25N3O/c1-12(17-2)13-8-10-14(11-9-13)18-16(20)19(3)15-6-4-5-7-15/h8-12,15,17H,4-7H2,1-3H3,(H,18,20)
InChIKeyTYDAKNSDHRRMRW-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.37
Rot. Bonds4

About 1-cyclopentyl-1-methyl-3-[4-[1-(methylamino)ethyl]phenyl]urea

1-cyclopentyl-1-methyl-3-[4-[1-(methylamino)ethyl]phenyl]urea (PubChem CID 61339495) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-cyclopentyl-1-methyl-3-[4-[1-(methylamino)ethyl]phenyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-1-methyl-3-[4-[1-(methylamino)ethyl]phenyl]urea
PubChem CID61339495
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-cyclopentyl-1-methyl-3-[4-[1-(methylamino)ethyl]phenyl]urea
SMILESCNC(C)c1ccc(NC(=O)N(C)C2CCCC2)cc1
InChIInChI=1S/C16H25N3O/c1-12(17-2)13-8-10-14(11-9-13)18-16(20)19(3)15-6-4-5-7-15/h8-12,15,17H,4-7H2,1-3H3,(H,18,20)
InChIKeyTYDAKNSDHRRMRW-UHFFFAOYSA-N
XLogP3.37
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-aminophenyl)-1-cycloheptyl-1-methylurea
CID 43614356
N-methyl-N-[4-[1-(methylamino)ethyl]phenyl]cycloheptanamine
CID 43614157
N-[4-[1-(methylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 43507625
3-[4-(1-aminoethyl)phenyl]-1-methyl-1-(oxan-4-yl)urea
CID 61340045
1,1-dicyclohexyl-3-(4-propan-2-ylphenyl)urea
CID 4171224
1-cyclohexyl-1-methyl-3-(4-sulfamoylphenyl)urea
CID 27869234
1,1-diethyl-3-[4-[1-(methylamino)ethyl]phenyl]urea
CID 61341996
1-(cyclohexylmethyl)-3-[4-[1-(methylamino)ethyl]phenyl]urea
CID 61341492
3-[4-[1-(ethylamino)ethyl]phenyl]-1-methyl-1-(oxolan-3-yl)urea
CID 82730912
3-[4-[1-(methylamino)ethyl]phenyl]-1,1-dipropylurea
CID 61339464
N-[4-[1-(methylamino)ethyl]phenyl]-1,1-dioxothiane-2-carboxamide
CID 104517869
3-[4-(dimethylamino)phenyl]-1-methyl-1-(1-methylpiperidin-4-yl)urea
CID 108894718

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-1-methyl-3-[4-[1-(methylamino)ethyl]phenyl]urea?
The IUPAC name of 1-cyclopentyl-1-methyl-3-[4-[1-(methylamino)ethyl]phenyl]urea (CID 61339495) is 1-cyclopentyl-1-methyl-3-[4-[1-(methylamino)ethyl]phenyl]urea.
What is the SMILES notation for 1-cyclopentyl-1-methyl-3-[4-[1-(methylamino)ethyl]phenyl]urea?
The canonical SMILES for 1-cyclopentyl-1-methyl-3-[4-[1-(methylamino)ethyl]phenyl]urea is CNC(C)c1ccc(NC(=O)N(C)C2CCCC2)cc1.
What is the InChIKey of 1-cyclopentyl-1-methyl-3-[4-[1-(methylamino)ethyl]phenyl]urea?
The InChIKey is TYDAKNSDHRRMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12(17-2)13-8-10-14(11-9-13)18-16(20)19(3)15-6-4-5-7-15/h8-12,15,17H,4-7H2,1-3H3,(H,18,20).
What are the key properties of 1-cyclopentyl-1-methyl-3-[4-[1-(methylamino)ethyl]phenyl]urea?
1-cyclopentyl-1-methyl-3-[4-[1-(methylamino)ethyl]phenyl]urea has a molecular weight of 275.40 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-1-methyl-3-[4-[1-(methylamino)ethyl]phenyl]urea is sourced from PubChem (CID 61339495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).