trans-(1R,2R)-N-[2-(azepan-1-yl)phenyl]-2-methylcyclopropane-1-carboxamide

C17H24N2O — CID 51931889

IUPACtrans-(1R,2R)-N-[2-(azepan-1-yl)phenyl]-2-methylcyclopropane-1-carboxamide
SMILESC[C@@H]1C[C@H]1C(=O)Nc1ccccc1N1CCCCCC1
InChIInChI=1S/C17H24N2O/c1-13-12-14(13)17(20)18-15-8-4-5-9-16(15)19-10-6-2-3-7-11-19/h4-5,8-9,13-14H,2-3,6-7,10-12H2,1H3,(H,18,20)/t13-,14-/m1/s1
InChIKeyGCGBXHROUOSWRE-ZIAGYGMSSA-N
MW272.39 g/mol
LogP3.66
Rot. Bonds3

About trans-(1R,2R)-N-[2-(azepan-1-yl)phenyl]-2-methylcyclopropane-1-carboxamide

trans-(1R,2R)-N-[2-(azepan-1-yl)phenyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 51931889) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is trans-(1R,2R)-N-[2-(azepan-1-yl)phenyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[2-(azepan-1-yl)phenyl]-2-methylcyclopropane-1-carboxamide
PubChem CID51931889
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Nametrans-(1R,2R)-N-[2-(azepan-1-yl)phenyl]-2-methylcyclopropane-1-carboxamide
SMILESC[C@@H]1C[C@H]1C(=O)Nc1ccccc1N1CCCCCC1
InChIInChI=1S/C17H24N2O/c1-13-12-14(13)17(20)18-15-8-4-5-9-16(15)19-10-6-2-3-7-11-19/h4-5,8-9,13-14H,2-3,6-7,10-12H2,1H3,(H,18,20)/t13-,14-/m1/s1
InChIKeyGCGBXHROUOSWRE-ZIAGYGMSSA-N
XLogP3.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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cis-(1R,2S)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-2-methylcyclopropane-1-carboxamide
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(4S)-1,3-dimethyl-5-oxo-N-(2-piperidin-1-ylphenyl)-4H-pyrazole-4-carboxamide
CID 98258864
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2,2-difluoro-N-(2-piperidin-1-ylphenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[2-(azepan-1-yl)phenyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[2-(azepan-1-yl)phenyl]-2-methylcyclopropane-1-carboxamide (CID 51931889) is trans-(1R,2R)-N-[2-(azepan-1-yl)phenyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[2-(azepan-1-yl)phenyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[2-(azepan-1-yl)phenyl]-2-methylcyclopropane-1-carboxamide is C[C@@H]1C[C@H]1C(=O)Nc1ccccc1N1CCCCCC1.
What is the InChIKey of trans-(1R,2R)-N-[2-(azepan-1-yl)phenyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is GCGBXHROUOSWRE-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H24N2O/c1-13-12-14(13)17(20)18-15-8-4-5-9-16(15)19-10-6-2-3-7-11-19/h4-5,8-9,13-14H,2-3,6-7,10-12H2,1H3,(H,18,20)/t13-,14-/m1/s1.
What are the key properties of trans-(1R,2R)-N-[2-(azepan-1-yl)phenyl]-2-methylcyclopropane-1-carboxamide?
trans-(1R,2R)-N-[2-(azepan-1-yl)phenyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 272.39 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[2-(azepan-1-yl)phenyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 51931889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).