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

C16H23N3O — CID 86712527

IUPAC3-[2-amino-5-(cyclopenten-1-yl)phenyl]-1-methyl-1-propylurea
SMILESCCCN(C)C(=O)Nc1cc(C2=CCCC2)ccc1N
InChIInChI=1S/C16H23N3O/c1-3-10-19(2)16(20)18-15-11-13(8-9-14(15)17)12-6-4-5-7-12/h6,8-9,11H,3-5,7,10,17H2,1-2H3,(H,18,20)
InChIKeyMSAGJQRDEOIKAJ-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.71
Rot. Bonds4

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

3-[2-amino-5-(cyclopenten-1-yl)phenyl]-1-methyl-1-propylurea (PubChem CID 86712527) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-[2-amino-5-(cyclopenten-1-yl)phenyl]-1-methyl-1-propylurea.

Molecular Properties

Compound Name3-[2-amino-5-(cyclopenten-1-yl)phenyl]-1-methyl-1-propylurea
PubChem CID86712527
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name3-[2-amino-5-(cyclopenten-1-yl)phenyl]-1-methyl-1-propylurea
SMILESCCCN(C)C(=O)Nc1cc(C2=CCCC2)ccc1N
InChIInChI=1S/C16H23N3O/c1-3-10-19(2)16(20)18-15-11-13(8-9-14(15)17)12-6-4-5-7-12/h6,8-9,11H,3-5,7,10,17H2,1-2H3,(H,18,20)
InChIKeyMSAGJQRDEOIKAJ-UHFFFAOYSA-N
XLogP3.71
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.71
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-ethyl-1-propylurea
CID 123589754
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-5-chlorophenyl)-1-ethyl-1-methylurea
CID 79152051
ethane;1-methyl-3-(4-methylphenyl)-1-propylurea
CID 142207328
3-[[methyl(propyl)carbamoyl]amino]naphthalene-2-carboxylic acid
CID 61195692
1-butyl-3-(2-hydroxyphenyl)-1-methylurea
CID 108871514
3-(6-amino-1,3-benzodioxol-5-yl)-1-ethyl-1-methylurea
CID 79160086
3-(4-ethylphenyl)-1-methyl-1-propylurea
CID 142207393
[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl-methylcarbamic acid
CID 68778186
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-methyl-1-propylurea?
The IUPAC name of 3-[2-amino-5-(cyclopenten-1-yl)phenyl]-1-methyl-1-propylurea (CID 86712527) is 3-[2-amino-5-(cyclopenten-1-yl)phenyl]-1-methyl-1-propylurea.
What is the SMILES notation for 3-[2-amino-5-(cyclopenten-1-yl)phenyl]-1-methyl-1-propylurea?
The canonical SMILES for 3-[2-amino-5-(cyclopenten-1-yl)phenyl]-1-methyl-1-propylurea is CCCN(C)C(=O)Nc1cc(C2=CCCC2)ccc1N.
What is the InChIKey of 3-[2-amino-5-(cyclopenten-1-yl)phenyl]-1-methyl-1-propylurea?
The InChIKey is MSAGJQRDEOIKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-10-19(2)16(20)18-15-11-13(8-9-14(15)17)12-6-4-5-7-12/h6,8-9,11H,3-5,7,10,17H2,1-2H3,(H,18,20).
What are the key properties of 3-[2-amino-5-(cyclopenten-1-yl)phenyl]-1-methyl-1-propylurea?
3-[2-amino-5-(cyclopenten-1-yl)phenyl]-1-methyl-1-propylurea has a molecular weight of 273.38 g/mol, XLogP of 3.71, 4 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-methyl-1-propylurea is sourced from PubChem (CID 86712527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).