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

C15H23N3O2 — CID 63258521

IUPAC1-(2-aminocycloheptyl)-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)NC1CCCCCC1N
InChIInChI=1S/C15H23N3O2/c1-20-14-10-6-5-9-13(14)18-15(19)17-12-8-4-2-3-7-11(12)16/h5-6,9-12H,2-4,7-8,16H2,1H3,(H2,17,18,19)
InChIKeyKGWKGWCTGMVQPC-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.48
Rot. Bonds3

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

1-(2-aminocycloheptyl)-3-(2-methoxyphenyl)urea (PubChem CID 63258521) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-(2-aminocycloheptyl)-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(2-aminocycloheptyl)-3-(2-methoxyphenyl)urea
PubChem CID63258521
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name1-(2-aminocycloheptyl)-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)NC1CCCCCC1N
InChIInChI=1S/C15H23N3O2/c1-20-14-10-6-5-9-13(14)18-15(19)17-12-8-4-2-3-7-11(12)16/h5-6,9-12H,2-4,7-8,16H2,1H3,(H2,17,18,19)
InChIKeyKGWKGWCTGMVQPC-UHFFFAOYSA-N
XLogP2.48
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-aminocyclopentyl)-3-(2-methoxyphenyl)urea
CID 63251747
1-(2-methoxyphenyl)-3-[(1R,2R)-2-methylcyclohexyl]urea
CID 40636375
N-(2-aminocyclohexyl)-2-(2-methoxyphenyl)acetamide
CID 55149839
1-[(2-aminocyclohexyl)methyl]-3-(2-methoxyphenyl)urea
CID 64929037
N-[(1R,2R)-2-aminocyclohexyl]-2,6-dimethoxybenzamide
CID 93452343
N-[(1S,2S)-2-aminocyclopentyl]-2,6-dimethoxybenzamide
CID 118308160
N-[(1R,2S)-2-aminocyclopentyl]-2,6-dimethoxybenzamide
CID 122452181
N-(2-aminocycloheptyl)-2-hydroxy-3-methoxybenzamide
CID 63257686
1-(2-methoxyphenyl)-3-[3-[(2-methoxyphenyl)carbamoylamino]-4-methylcyclohexyl]urea
CID 3446591
N-[(1S,2S)-2-aminocyclopentyl]-2,6-dimethoxybenzamide;hydrochloride
CID 118308159
1-(2-aminocyclopentyl)-3-phenylurea
CID 63251660
1-(2-hydroxycyclohexyl)-3-(2-propan-2-yloxyphenyl)urea
CID 110933007

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminocycloheptyl)-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-(2-aminocycloheptyl)-3-(2-methoxyphenyl)urea (CID 63258521) is 1-(2-aminocycloheptyl)-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-(2-aminocycloheptyl)-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-(2-aminocycloheptyl)-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)NC1CCCCCC1N.
What is the InChIKey of 1-(2-aminocycloheptyl)-3-(2-methoxyphenyl)urea?
The InChIKey is KGWKGWCTGMVQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-20-14-10-6-5-9-13(14)18-15(19)17-12-8-4-2-3-7-11(12)16/h5-6,9-12H,2-4,7-8,16H2,1H3,(H2,17,18,19).
What are the key properties of 1-(2-aminocycloheptyl)-3-(2-methoxyphenyl)urea?
1-(2-aminocycloheptyl)-3-(2-methoxyphenyl)urea has a molecular weight of 277.37 g/mol, XLogP of 2.48, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminocycloheptyl)-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 63258521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).