1-[3-(1-aminoethyl)phenyl]-3-cyclopentylurea

C14H21N3O — CID 61339811

IUPAC1-[3-(1-aminoethyl)phenyl]-3-cyclopentylurea
SMILESCC(N)c1cccc(NC(=O)NC2CCCC2)c1
InChIInChI=1S/C14H21N3O/c1-10(15)11-5-4-8-13(9-11)17-14(18)16-12-6-2-3-7-12/h4-5,8-10,12H,2-3,6-7,15H2,1H3,(H2,16,17,18)
InChIKeyYDXCJUOYVXHQNP-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.77
Rot. Bonds3

About 1-[3-(1-aminoethyl)phenyl]-3-cyclopentylurea

1-[3-(1-aminoethyl)phenyl]-3-cyclopentylurea (PubChem CID 61339811) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[3-(1-aminoethyl)phenyl]-3-cyclopentylurea.

Molecular Properties

Compound Name1-[3-(1-aminoethyl)phenyl]-3-cyclopentylurea
PubChem CID61339811
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-[3-(1-aminoethyl)phenyl]-3-cyclopentylurea
SMILESCC(N)c1cccc(NC(=O)NC2CCCC2)c1
InChIInChI=1S/C14H21N3O/c1-10(15)11-5-4-8-13(9-11)17-14(18)16-12-6-2-3-7-12/h4-5,8-10,12H,2-3,6-7,15H2,1H3,(H2,16,17,18)
InChIKeyYDXCJUOYVXHQNP-UHFFFAOYSA-N
XLogP2.77
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(1-aminoethyl)phenyl]-3-(3,5-dimethylcyclohexyl)urea
CID 64732162
1-[3-(1-aminoethyl)phenyl]-3-(2-methylcyclopentyl)urea
CID 63279777
N-[3-(1-aminoethyl)phenyl]cyclohexanecarboxamide
CID 16796065
N-[3-(1-aminoethyl)phenyl]cyclopentanecarboxamide
CID 16787772
1-[4-(1-aminoethyl)phenyl]-3-cyclobutylurea
CID 62414254
1-(3-aminophenyl)-3-cyclopentylurea
CID 29267368
1-[3-(1-aminoethyl)phenyl]-3-(3-cyclopentylpropyl)urea
CID 106014699
1-cyclododecyl-3-(3-methylsulfanylphenyl)urea
CID 17087586
N-[3-(cycloheptylcarbamoylamino)phenyl]propanamide
CID 47033628
1-(3-tert-butylphenyl)-3-cyclopentylurea
CID 58646048
1-[3-(1-hydroxyethyl)phenyl]-3-(oxan-3-yl)urea
CID 63361993
[3-(cycloheptylcarbamoylamino)phenyl] acetate
CID 108865301

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-aminoethyl)phenyl]-3-cyclopentylurea?
The IUPAC name of 1-[3-(1-aminoethyl)phenyl]-3-cyclopentylurea (CID 61339811) is 1-[3-(1-aminoethyl)phenyl]-3-cyclopentylurea.
What is the SMILES notation for 1-[3-(1-aminoethyl)phenyl]-3-cyclopentylurea?
The canonical SMILES for 1-[3-(1-aminoethyl)phenyl]-3-cyclopentylurea is CC(N)c1cccc(NC(=O)NC2CCCC2)c1.
What is the InChIKey of 1-[3-(1-aminoethyl)phenyl]-3-cyclopentylurea?
The InChIKey is YDXCJUOYVXHQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10(15)11-5-4-8-13(9-11)17-14(18)16-12-6-2-3-7-12/h4-5,8-10,12H,2-3,6-7,15H2,1H3,(H2,16,17,18).
What are the key properties of 1-[3-(1-aminoethyl)phenyl]-3-cyclopentylurea?
1-[3-(1-aminoethyl)phenyl]-3-cyclopentylurea has a molecular weight of 247.34 g/mol, XLogP of 2.77, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-aminoethyl)phenyl]-3-cyclopentylurea is sourced from PubChem (CID 61339811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).