3-[2-amino-5-(cyclopenten-1-yl)phenyl]-1-ethyl-1-propylurea

C17H25N3O — CID 123589754

IUPAC3-[2-amino-5-(cyclopenten-1-yl)phenyl]-1-ethyl-1-propylurea
SMILESCCCN(CC)C(=O)Nc1cc(C2=CCCC2)ccc1N
InChIInChI=1S/C17H25N3O/c1-3-11-20(4-2)17(21)19-16-12-14(9-10-15(16)18)13-7-5-6-8-13/h7,9-10,12H,3-6,8,11,18H2,1-2H3,(H,19,21)
InChIKeyUWSRUSDWZNGSKQ-UHFFFAOYSA-N
MW287.41 g/mol
LogP4.10
Rot. Bonds5

About 3-[2-amino-5-(cyclopenten-1-yl)phenyl]-1-ethyl-1-propylurea

3-[2-amino-5-(cyclopenten-1-yl)phenyl]-1-ethyl-1-propylurea (PubChem CID 123589754) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 3-[2-amino-5-(cyclopenten-1-yl)phenyl]-1-ethyl-1-propylurea.

Molecular Properties

Compound Name3-[2-amino-5-(cyclopenten-1-yl)phenyl]-1-ethyl-1-propylurea
PubChem CID123589754
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name3-[2-amino-5-(cyclopenten-1-yl)phenyl]-1-ethyl-1-propylurea
SMILESCCCN(CC)C(=O)Nc1cc(C2=CCCC2)ccc1N
InChIInChI=1S/C17H25N3O/c1-3-11-20(4-2)17(21)19-16-12-14(9-10-15(16)18)13-7-5-6-8-13/h7,9-10,12H,3-6,8,11,18H2,1-2H3,(H,19,21)
InChIKeyUWSRUSDWZNGSKQ-UHFFFAOYSA-N
XLogP4.10
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[2-amino-5-(cyclopenten-1-yl)phenyl]-1-methyl-1-propylurea
CID 86712527
1-bicyclo[1.1.0]butanylmethyl N-[2-amino-5-(cyclopenten-1-yl)phenyl]carbamate
CID 146183709
(3S)-3-acetamido-N-[2-amino-5-(cyclohexen-1-yl)phenyl]pyrrolidine-1-carboxamide
CID 89183175
N-[2-amino-5-(cyclohexen-1-yl)phenyl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 89183110
3-(2-amino-4-hydroxyphenyl)-1,1-diethylurea
CID 107698052
3-(2-amino-4-fluorophenyl)-1,1-diethylurea
CID 79154224
2-amino-N-ethyl-5-methyl-N-propylbenzamide
CID 62511065
2-[[ethyl(propyl)carbamoyl]amino]-5-methoxybenzoic acid
CID 115412057
1,1-diethyl-3-(2-hydroxy-4-methylphenyl)urea
CID 14208459
3-(2-amino-5-chlorophenyl)-1-ethyl-1-methylurea
CID 79152051
3-(4-aminophenyl)-1,1-dipropylurea
CID 43468918
N-(2-amino-5-methylphenyl)-N',N'-dibutyloxamide
CID 108524625

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-5-(cyclopenten-1-yl)phenyl]-1-ethyl-1-propylurea?
The IUPAC name of 3-[2-amino-5-(cyclopenten-1-yl)phenyl]-1-ethyl-1-propylurea (CID 123589754) is 3-[2-amino-5-(cyclopenten-1-yl)phenyl]-1-ethyl-1-propylurea.
What is the SMILES notation for 3-[2-amino-5-(cyclopenten-1-yl)phenyl]-1-ethyl-1-propylurea?
The canonical SMILES for 3-[2-amino-5-(cyclopenten-1-yl)phenyl]-1-ethyl-1-propylurea is CCCN(CC)C(=O)Nc1cc(C2=CCCC2)ccc1N.
What is the InChIKey of 3-[2-amino-5-(cyclopenten-1-yl)phenyl]-1-ethyl-1-propylurea?
The InChIKey is UWSRUSDWZNGSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-3-11-20(4-2)17(21)19-16-12-14(9-10-15(16)18)13-7-5-6-8-13/h7,9-10,12H,3-6,8,11,18H2,1-2H3,(H,19,21).
What are the key properties of 3-[2-amino-5-(cyclopenten-1-yl)phenyl]-1-ethyl-1-propylurea?
3-[2-amino-5-(cyclopenten-1-yl)phenyl]-1-ethyl-1-propylurea has a molecular weight of 287.41 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-5-(cyclopenten-1-yl)phenyl]-1-ethyl-1-propylurea is sourced from PubChem (CID 123589754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).