(2S)-1-methyl-N-(1-methylcycloheptyl)azepane-2-carboxamide

C16H30N2O — CID 164637314

IUPAC(2S)-1-methyl-N-(1-methylcycloheptyl)azepane-2-carboxamide
SMILESCN1CCCCC[C@H]1C(=O)NC1(C)CCCCCC1
InChIInChI=1S/C16H30N2O/c1-16(11-7-3-4-8-12-16)17-15(19)14-10-6-5-9-13-18(14)2/h14H,3-13H2,1-2H3,(H,17,19)/t14-/m0/s1
InChIKeyGEHCVUOZTACYPA-AWEZNQCLSA-N
MW266.43 g/mol
LogP3.09
Rot. Bonds2

About (2S)-1-methyl-N-(1-methylcycloheptyl)azepane-2-carboxamide

(2S)-1-methyl-N-(1-methylcycloheptyl)azepane-2-carboxamide (PubChem CID 164637314) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is (2S)-1-methyl-N-(1-methylcycloheptyl)azepane-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-methyl-N-(1-methylcycloheptyl)azepane-2-carboxamide
PubChem CID164637314
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name(2S)-1-methyl-N-(1-methylcycloheptyl)azepane-2-carboxamide
SMILESCN1CCCCC[C@H]1C(=O)NC1(C)CCCCCC1
InChIInChI=1S/C16H30N2O/c1-16(11-7-3-4-8-12-16)17-15(19)14-10-6-5-9-13-18(14)2/h14H,3-13H2,1-2H3,(H,17,19)/t14-/m0/s1
InChIKeyGEHCVUOZTACYPA-AWEZNQCLSA-N
XLogP3.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-methyl-N-(1-methylcycloheptyl)azepane-2-carboxamide?
The IUPAC name of (2S)-1-methyl-N-(1-methylcycloheptyl)azepane-2-carboxamide (CID 164637314) is (2S)-1-methyl-N-(1-methylcycloheptyl)azepane-2-carboxamide.
What is the SMILES notation for (2S)-1-methyl-N-(1-methylcycloheptyl)azepane-2-carboxamide?
The canonical SMILES for (2S)-1-methyl-N-(1-methylcycloheptyl)azepane-2-carboxamide is CN1CCCCC[C@H]1C(=O)NC1(C)CCCCCC1.
What is the InChIKey of (2S)-1-methyl-N-(1-methylcycloheptyl)azepane-2-carboxamide?
The InChIKey is GEHCVUOZTACYPA-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H30N2O/c1-16(11-7-3-4-8-12-16)17-15(19)14-10-6-5-9-13-18(14)2/h14H,3-13H2,1-2H3,(H,17,19)/t14-/m0/s1.
What are the key properties of (2S)-1-methyl-N-(1-methylcycloheptyl)azepane-2-carboxamide?
(2S)-1-methyl-N-(1-methylcycloheptyl)azepane-2-carboxamide has a molecular weight of 266.43 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methyl-N-(1-methylcycloheptyl)azepane-2-carboxamide is sourced from PubChem (CID 164637314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).