N-(2-methoxyethyl)-1-methyl-N-(naphthalen-1-ylmethyl)azepane-2-carboxamide

C22H30N2O2 — CID 74242769

IUPACN-(2-methoxyethyl)-1-methyl-N-(naphthalen-1-ylmethyl)azepane-2-carboxamide
SMILESCOCCN(Cc1cccc2ccccc12)C(=O)C1CCCCCN1C
InChIInChI=1S/C22H30N2O2/c1-23-14-7-3-4-13-21(23)22(25)24(15-16-26-2)17-19-11-8-10-18-9-5-6-12-20(18)19/h5-6,8-12,21H,3-4,7,13-17H2,1-2H3
InChIKeyWUVIDXLHQLAMME-UHFFFAOYSA-N
MW354.49 g/mol
LogP3.69
Rot. Bonds6

About N-(2-methoxyethyl)-1-methyl-N-(naphthalen-1-ylmethyl)azepane-2-carboxamide

N-(2-methoxyethyl)-1-methyl-N-(naphthalen-1-ylmethyl)azepane-2-carboxamide (PubChem CID 74242769) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-methyl-N-(naphthalen-1-ylmethyl)azepane-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-methyl-N-(naphthalen-1-ylmethyl)azepane-2-carboxamide
PubChem CID74242769
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC NameN-(2-methoxyethyl)-1-methyl-N-(naphthalen-1-ylmethyl)azepane-2-carboxamide
SMILESCOCCN(Cc1cccc2ccccc12)C(=O)C1CCCCCN1C
InChIInChI=1S/C22H30N2O2/c1-23-14-7-3-4-13-21(23)22(25)24(15-16-26-2)17-19-11-8-10-18-9-5-6-12-20(18)19/h5-6,8-12,21H,3-4,7,13-17H2,1-2H3
InChIKeyWUVIDXLHQLAMME-UHFFFAOYSA-N
XLogP3.69
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(2-methoxyethyl)-1-methyl-N-[(2-methylphenyl)methyl]azepane-2-carboxamide
CID 97205692
(2R)-N-(2-methoxyethyl)-1-methyl-N-(pyridin-2-ylmethyl)azepane-2-carboxamide
CID 97205508
(2S)-N-[(2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-1-methylazepane-2-carboxamide
CID 95144039
N-[(2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-1-methylazepane-2-carboxamide
CID 50980685
5-cyclopropyl-N-(2-methoxyethyl)-N-(naphthalen-1-ylmethyl)-2H-triazole-4-carboxamide
CID 166309209
(2R)-1-methyl-N-[2-[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]ethyl]piperidine-2-carboxamide
CID 125178920
1-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)-3-[[(2S)-1-methylpiperidin-2-yl]methyl]urea
CID 126423894
N-[(3-methoxyphenyl)methyl]-1-methyl-N-prop-2-enylazepane-2-carboxamide
CID 46996249
1-(cyclopropanecarbonyl)-N-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 56803669
(2S)-N-[(4-chlorophenyl)methyl]-N-(3-hydroxypropyl)-1-methylazepane-2-carboxamide
CID 97196678
N-[(4-chlorophenyl)methyl]-N-(3-hydroxypropyl)-1-methylazepane-2-carboxamide
CID 72881657
cis-(1R,3S)-3-[(2-chlorophenyl)methyl-(2-methoxyethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 74244474

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-methyl-N-(naphthalen-1-ylmethyl)azepane-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-1-methyl-N-(naphthalen-1-ylmethyl)azepane-2-carboxamide (CID 74242769) is N-(2-methoxyethyl)-1-methyl-N-(naphthalen-1-ylmethyl)azepane-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-1-methyl-N-(naphthalen-1-ylmethyl)azepane-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-1-methyl-N-(naphthalen-1-ylmethyl)azepane-2-carboxamide is COCCN(Cc1cccc2ccccc12)C(=O)C1CCCCCN1C.
What is the InChIKey of N-(2-methoxyethyl)-1-methyl-N-(naphthalen-1-ylmethyl)azepane-2-carboxamide?
The InChIKey is WUVIDXLHQLAMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-23-14-7-3-4-13-21(23)22(25)24(15-16-26-2)17-19-11-8-10-18-9-5-6-12-20(18)19/h5-6,8-12,21H,3-4,7,13-17H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-1-methyl-N-(naphthalen-1-ylmethyl)azepane-2-carboxamide?
N-(2-methoxyethyl)-1-methyl-N-(naphthalen-1-ylmethyl)azepane-2-carboxamide has a molecular weight of 354.49 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-methyl-N-(naphthalen-1-ylmethyl)azepane-2-carboxamide is sourced from PubChem (CID 74242769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).