1-(2-aminocyclopentyl)-3-(2-methoxyphenyl)urea

C13H19N3O2 — CID 63251747

IUPAC1-(2-aminocyclopentyl)-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)NC1CCCC1N
InChIInChI=1S/C13H19N3O2/c1-18-12-8-3-2-6-11(12)16-13(17)15-10-7-4-5-9(10)14/h2-3,6,8-10H,4-5,7,14H2,1H3,(H2,15,16,17)
InChIKeySUCAPNKHHUGAHW-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.70
Rot. Bonds3

About 1-(2-aminocyclopentyl)-3-(2-methoxyphenyl)urea

1-(2-aminocyclopentyl)-3-(2-methoxyphenyl)urea (PubChem CID 63251747) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-(2-aminocyclopentyl)-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(2-aminocyclopentyl)-3-(2-methoxyphenyl)urea
PubChem CID63251747
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-(2-aminocyclopentyl)-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)NC1CCCC1N
InChIInChI=1S/C13H19N3O2/c1-18-12-8-3-2-6-11(12)16-13(17)15-10-7-4-5-9(10)14/h2-3,6,8-10H,4-5,7,14H2,1H3,(H2,15,16,17)
InChIKeySUCAPNKHHUGAHW-UHFFFAOYSA-N
XLogP1.70
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-aminocycloheptyl)-3-(2-methoxyphenyl)urea
CID 63258521
1-(2-methoxyphenyl)-3-[(1R,2R)-2-methylcyclohexyl]urea
CID 40636375
N-[(1S,2S)-2-aminocyclopentyl]-2,6-dimethoxybenzamide
CID 118308160
N-[(1R,2S)-2-aminocyclopentyl]-2,6-dimethoxybenzamide
CID 122452181
N-(2-aminocyclohexyl)-2-(2-methoxyphenyl)acetamide
CID 55149839
1-[(2-aminocyclohexyl)methyl]-3-(2-methoxyphenyl)urea
CID 64929037
N-[(1S,2S)-2-aminocyclopentyl]-2,6-dimethoxybenzamide;hydrochloride
CID 118308159
1-(2-aminocyclopentyl)-3-phenylurea
CID 63251660
N-[(1R,2R)-2-aminocyclohexyl]-2,6-dimethoxybenzamide
CID 93452343
1-(2-methoxyphenyl)-3-[3-[(2-methoxyphenyl)carbamoylamino]-4-methylcyclohexyl]urea
CID 3446591
N-[(1S,2S)-2-aminocyclopentyl]-2-fluoro-6-methoxybenzamide
CID 118308174
1-[2-(methoxymethyl)cyclopentyl]-3-naphthalen-1-ylurea
CID 156609749

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminocyclopentyl)-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-(2-aminocyclopentyl)-3-(2-methoxyphenyl)urea (CID 63251747) is 1-(2-aminocyclopentyl)-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-(2-aminocyclopentyl)-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-(2-aminocyclopentyl)-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)NC1CCCC1N.
What is the InChIKey of 1-(2-aminocyclopentyl)-3-(2-methoxyphenyl)urea?
The InChIKey is SUCAPNKHHUGAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-18-12-8-3-2-6-11(12)16-13(17)15-10-7-4-5-9(10)14/h2-3,6,8-10H,4-5,7,14H2,1H3,(H2,15,16,17).
What are the key properties of 1-(2-aminocyclopentyl)-3-(2-methoxyphenyl)urea?
1-(2-aminocyclopentyl)-3-(2-methoxyphenyl)urea has a molecular weight of 249.31 g/mol, XLogP of 1.70, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminocyclopentyl)-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 63251747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).