(2S)-N-(2-methoxyethyl)-1-methyl-N-[(2-methylphenyl)methyl]azepane-2-carboxamide

C19H30N2O2 — CID 97205692

IUPAC(2S)-N-(2-methoxyethyl)-1-methyl-N-[(2-methylphenyl)methyl]azepane-2-carboxamide
SMILESCOCCN(Cc1ccccc1C)C(=O)[C@@H]1CCCCCN1C
InChIInChI=1S/C19H30N2O2/c1-16-9-6-7-10-17(16)15-21(13-14-23-3)19(22)18-11-5-4-8-12-20(18)2/h6-7,9-10,18H,4-5,8,11-15H2,1-3H3/t18-/m0/s1
InChIKeyCPTJNRZNBZOOCB-SFHVURJKSA-N
MW318.46 g/mol
LogP2.84
Rot. Bonds6

About (2S)-N-(2-methoxyethyl)-1-methyl-N-[(2-methylphenyl)methyl]azepane-2-carboxamide

(2S)-N-(2-methoxyethyl)-1-methyl-N-[(2-methylphenyl)methyl]azepane-2-carboxamide (PubChem CID 97205692) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is (2S)-N-(2-methoxyethyl)-1-methyl-N-[(2-methylphenyl)methyl]azepane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-methoxyethyl)-1-methyl-N-[(2-methylphenyl)methyl]azepane-2-carboxamide
PubChem CID97205692
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name(2S)-N-(2-methoxyethyl)-1-methyl-N-[(2-methylphenyl)methyl]azepane-2-carboxamide
SMILESCOCCN(Cc1ccccc1C)C(=O)[C@@H]1CCCCCN1C
InChIInChI=1S/C19H30N2O2/c1-16-9-6-7-10-17(16)15-21(13-14-23-3)19(22)18-11-5-4-8-12-20(18)2/h6-7,9-10,18H,4-5,8,11-15H2,1-3H3/t18-/m0/s1
InChIKeyCPTJNRZNBZOOCB-SFHVURJKSA-N
XLogP2.84
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyethyl)-1-methyl-N-(naphthalen-1-ylmethyl)azepane-2-carboxamide
CID 74242769
(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
(2R)-N-(2-hydroxyethyl)-1-methyl-N-[(3-methylthiophen-2-yl)methyl]azepane-2-carboxamide
CID 95123004
1-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)-3-[[(2S)-1-methylpiperidin-2-yl]methyl]urea
CID 126423894
N-(2-methoxyethyl)-N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]cyclopropanecarboxamide
CID 42819440
1-(cyclopropanecarbonyl)-N-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 56803669
cis-(1S,3R)-3-hydroxy-N-(2-hydroxyethyl)-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide
CID 91773233
(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 (2S)-N-(2-methoxyethyl)-1-methyl-N-[(2-methylphenyl)methyl]azepane-2-carboxamide?
The IUPAC name of (2S)-N-(2-methoxyethyl)-1-methyl-N-[(2-methylphenyl)methyl]azepane-2-carboxamide (CID 97205692) is (2S)-N-(2-methoxyethyl)-1-methyl-N-[(2-methylphenyl)methyl]azepane-2-carboxamide.
What is the SMILES notation for (2S)-N-(2-methoxyethyl)-1-methyl-N-[(2-methylphenyl)methyl]azepane-2-carboxamide?
The canonical SMILES for (2S)-N-(2-methoxyethyl)-1-methyl-N-[(2-methylphenyl)methyl]azepane-2-carboxamide is COCCN(Cc1ccccc1C)C(=O)[C@@H]1CCCCCN1C.
What is the InChIKey of (2S)-N-(2-methoxyethyl)-1-methyl-N-[(2-methylphenyl)methyl]azepane-2-carboxamide?
The InChIKey is CPTJNRZNBZOOCB-SFHVURJKSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-16-9-6-7-10-17(16)15-21(13-14-23-3)19(22)18-11-5-4-8-12-20(18)2/h6-7,9-10,18H,4-5,8,11-15H2,1-3H3/t18-/m0/s1.
What are the key properties of (2S)-N-(2-methoxyethyl)-1-methyl-N-[(2-methylphenyl)methyl]azepane-2-carboxamide?
(2S)-N-(2-methoxyethyl)-1-methyl-N-[(2-methylphenyl)methyl]azepane-2-carboxamide has a molecular weight of 318.46 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-methoxyethyl)-1-methyl-N-[(2-methylphenyl)methyl]azepane-2-carboxamide is sourced from PubChem (CID 97205692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).