2-(cycloheptylamino)-1-(2-methoxyphenyl)propan-1-one

C17H25NO2 — CID 82100983

IUPAC2-(cycloheptylamino)-1-(2-methoxyphenyl)propan-1-one
SMILESCOc1ccccc1C(=O)C(C)NC1CCCCCC1
InChIInChI=1S/C17H25NO2/c1-13(18-14-9-5-3-4-6-10-14)17(19)15-11-7-8-12-16(15)20-2/h7-8,11-14,18H,3-6,9-10H2,1-2H3
InChIKeyTYZCVSHKTLMNTI-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.58
Rot. Bonds5

About 2-(cycloheptylamino)-1-(2-methoxyphenyl)propan-1-one

2-(cycloheptylamino)-1-(2-methoxyphenyl)propan-1-one (PubChem CID 82100983) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-(cycloheptylamino)-1-(2-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name2-(cycloheptylamino)-1-(2-methoxyphenyl)propan-1-one
PubChem CID82100983
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2-(cycloheptylamino)-1-(2-methoxyphenyl)propan-1-one
SMILESCOc1ccccc1C(=O)C(C)NC1CCCCCC1
InChIInChI=1S/C17H25NO2/c1-13(18-14-9-5-3-4-6-10-14)17(19)15-11-7-8-12-16(15)20-2/h7-8,11-14,18H,3-6,9-10H2,1-2H3
InChIKeyTYZCVSHKTLMNTI-UHFFFAOYSA-N
XLogP3.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyl-2-hydroxy-1-(2-methoxyphenyl)ethanone
CID 103457383
N-cycloheptyl-2-(2-methoxyphenyl)-2-oxoacetamide
CID 94283969
1-(3-amino-4-methoxyphenyl)-2-(cyclopentylamino)propan-1-one
CID 82258397
cyclooctyl-(2-methoxyphenyl)methanone
CID 80602820
N-[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 9208969
1-cyclohexyl-3-[1-(2-methoxybenzoyl)piperidin-4-yl]urea
CID 127232346
N-cyclohexyl-2-(2-methoxyphenoxy)propanamide
CID 5003306
N-[2-(cycloheptylamino)ethyl]-2-methoxybenzamide
CID 81487134
(2S)-N-cyclopentyl-2-(2-methoxyphenoxy)propanamide
CID 42082135
2-(cycloheptylamino)-2-(2-methoxyphenyl)ethanol
CID 61055556
(2R,3R)-3-cyclohexyl-3-(diphenylphosphorylamino)-2-hydroxy-1-(2-methoxyphenyl)propan-1-one
CID 102187904
(2R)-N-(2-acetylphenyl)-2-(cyclooctylamino)propanamide
CID 9444335

Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptylamino)-1-(2-methoxyphenyl)propan-1-one?
The IUPAC name of 2-(cycloheptylamino)-1-(2-methoxyphenyl)propan-1-one (CID 82100983) is 2-(cycloheptylamino)-1-(2-methoxyphenyl)propan-1-one.
What is the SMILES notation for 2-(cycloheptylamino)-1-(2-methoxyphenyl)propan-1-one?
The canonical SMILES for 2-(cycloheptylamino)-1-(2-methoxyphenyl)propan-1-one is COc1ccccc1C(=O)C(C)NC1CCCCCC1.
What is the InChIKey of 2-(cycloheptylamino)-1-(2-methoxyphenyl)propan-1-one?
The InChIKey is TYZCVSHKTLMNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13(18-14-9-5-3-4-6-10-14)17(19)15-11-7-8-12-16(15)20-2/h7-8,11-14,18H,3-6,9-10H2,1-2H3.
What are the key properties of 2-(cycloheptylamino)-1-(2-methoxyphenyl)propan-1-one?
2-(cycloheptylamino)-1-(2-methoxyphenyl)propan-1-one has a molecular weight of 275.39 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptylamino)-1-(2-methoxyphenyl)propan-1-one is sourced from PubChem (CID 82100983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).