1-[4-(1-aminoethyl)phenyl]-3-(2-cyclopentylethyl)urea

C16H25N3O — CID 61341143

IUPAC1-[4-(1-aminoethyl)phenyl]-3-(2-cyclopentylethyl)urea
SMILESCC(N)c1ccc(NC(=O)NCCC2CCCC2)cc1
InChIInChI=1S/C16H25N3O/c1-12(17)14-6-8-15(9-7-14)19-16(20)18-11-10-13-4-2-3-5-13/h6-9,12-13H,2-5,10-11,17H2,1H3,(H2,18,19,20)
InChIKeyYHGMSYKHPSERLB-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.41
Rot. Bonds5

About 1-[4-(1-aminoethyl)phenyl]-3-(2-cyclopentylethyl)urea

1-[4-(1-aminoethyl)phenyl]-3-(2-cyclopentylethyl)urea (PubChem CID 61341143) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-[4-(1-aminoethyl)phenyl]-3-(2-cyclopentylethyl)urea.

Molecular Properties

Compound Name1-[4-(1-aminoethyl)phenyl]-3-(2-cyclopentylethyl)urea
PubChem CID61341143
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-[4-(1-aminoethyl)phenyl]-3-(2-cyclopentylethyl)urea
SMILESCC(N)c1ccc(NC(=O)NCCC2CCCC2)cc1
InChIInChI=1S/C16H25N3O/c1-12(17)14-6-8-15(9-7-14)19-16(20)18-11-10-13-4-2-3-5-13/h6-9,12-13H,2-5,10-11,17H2,1H3,(H2,18,19,20)
InChIKeyYHGMSYKHPSERLB-UHFFFAOYSA-N
XLogP3.41
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(1-aminoethyl)phenyl]-3-(3-cyclopentylpropyl)urea
CID 106014699
1-(2-cyclohexylethyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 108888595
1-[4-(1-aminoethyl)phenyl]-3-[(3-methylcyclopentyl)methyl]urea
CID 107415057
1-[4-(1-aminoethyl)phenyl]-3-(3-pyrrolidin-1-ylpropyl)urea
CID 62993591
1-[4-(1-aminoethyl)phenyl]-3-(2-methylsulfonylethyl)urea
CID 61340704
1-[4-(1-aminoethyl)phenyl]-3-(2-methylsulfinylethyl)urea
CID 113480473
1-(cyclohexylmethyl)-3-[4-[1-(methylamino)ethyl]phenyl]urea
CID 61341492
1-[4-(1-aminoethyl)phenyl]-3-cyclobutylurea
CID 62414254
1-[4-(1-aminoethyl)phenyl]-3-[(1,1-dioxothiolan-3-yl)methyl]urea
CID 62131297
1-[4-(1-aminoethyl)phenyl]-3-(3-methylsulfanylpropyl)urea
CID 63963555
1-(3-cyclohexylpropyl)-3-phenylurea
CID 19835717
1-[4-(1-aminoethyl)phenyl]-3-propan-2-ylurea
CID 43208686

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminoethyl)phenyl]-3-(2-cyclopentylethyl)urea?
The IUPAC name of 1-[4-(1-aminoethyl)phenyl]-3-(2-cyclopentylethyl)urea (CID 61341143) is 1-[4-(1-aminoethyl)phenyl]-3-(2-cyclopentylethyl)urea.
What is the SMILES notation for 1-[4-(1-aminoethyl)phenyl]-3-(2-cyclopentylethyl)urea?
The canonical SMILES for 1-[4-(1-aminoethyl)phenyl]-3-(2-cyclopentylethyl)urea is CC(N)c1ccc(NC(=O)NCCC2CCCC2)cc1.
What is the InChIKey of 1-[4-(1-aminoethyl)phenyl]-3-(2-cyclopentylethyl)urea?
The InChIKey is YHGMSYKHPSERLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12(17)14-6-8-15(9-7-14)19-16(20)18-11-10-13-4-2-3-5-13/h6-9,12-13H,2-5,10-11,17H2,1H3,(H2,18,19,20).
What are the key properties of 1-[4-(1-aminoethyl)phenyl]-3-(2-cyclopentylethyl)urea?
1-[4-(1-aminoethyl)phenyl]-3-(2-cyclopentylethyl)urea has a molecular weight of 275.40 g/mol, XLogP of 3.41, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminoethyl)phenyl]-3-(2-cyclopentylethyl)urea is sourced from PubChem (CID 61341143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).