[2-(3-methylphenyl)azepan-1-yl]-morpholin-2-ylmethanone

C18H26N2O2 — CID 119792785

IUPAC[2-(3-methylphenyl)azepan-1-yl]-morpholin-2-ylmethanone
SMILESCc1cccc(C2CCCCCN2C(=O)C2CNCCO2)c1
InChIInChI=1S/C18H26N2O2/c1-14-6-5-7-15(12-14)16-8-3-2-4-10-20(16)18(21)17-13-19-9-11-22-17/h5-7,12,16-17,19H,2-4,8-11,13H2,1H3
InChIKeyNVGYQHOYOODNTG-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.43
Rot. Bonds2

About [2-(3-methylphenyl)azepan-1-yl]-morpholin-2-ylmethanone

[2-(3-methylphenyl)azepan-1-yl]-morpholin-2-ylmethanone (PubChem CID 119792785) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is [2-(3-methylphenyl)azepan-1-yl]-morpholin-2-ylmethanone.

Molecular Properties

Compound Name[2-(3-methylphenyl)azepan-1-yl]-morpholin-2-ylmethanone
PubChem CID119792785
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name[2-(3-methylphenyl)azepan-1-yl]-morpholin-2-ylmethanone
SMILESCc1cccc(C2CCCCCN2C(=O)C2CNCCO2)c1
InChIInChI=1S/C18H26N2O2/c1-14-6-5-7-15(12-14)16-8-3-2-4-10-20(16)18(21)17-13-19-9-11-22-17/h5-7,12,16-17,19H,2-4,8-11,13H2,1H3
InChIKeyNVGYQHOYOODNTG-UHFFFAOYSA-N
XLogP2.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-methylphenyl)azepan-1-yl]-morpholin-2-ylmethanone;hydrochloride
CID 119792784
[(2R)-1,4-dioxan-2-yl]-[(2R)-2-(3-methylphenyl)azepan-1-yl]methanone
CID 95629661
[2-(3-methylphenyl)azepan-1-yl]-piperidin-3-ylmethanone;hydrochloride
CID 119328737
[2-(3-methoxyphenyl)pyrrolidin-1-yl]-morpholin-2-ylmethanone;hydrochloride
CID 119700017
2-(3-methylphenyl)-N-propan-2-ylazepane-1-carboxamide
CID 53013135
(2R)-N-[3-[(2R)-2-(3-methylphenyl)azepane-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 99808923
4-amino-1-[2-(3-methylphenyl)azepan-1-yl]butan-1-one
CID 119328740
morpholin-2-yl-(2-naphthalen-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 119749313
(2-phenylazepan-1-yl)-pyrrolidin-3-ylmethanone
CID 119737819
1-(morpholine-2-carbonyl)-7-phenyl-1,4-diazepan-5-one;hydrochloride
CID 119736164
N-methyl-N-(3-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119707893
N-(2-chlorophenyl)-2-(3-methylphenyl)azepane-1-carboxamide
CID 53013090

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylphenyl)azepan-1-yl]-morpholin-2-ylmethanone?
The IUPAC name of [2-(3-methylphenyl)azepan-1-yl]-morpholin-2-ylmethanone (CID 119792785) is [2-(3-methylphenyl)azepan-1-yl]-morpholin-2-ylmethanone.
What is the SMILES notation for [2-(3-methylphenyl)azepan-1-yl]-morpholin-2-ylmethanone?
The canonical SMILES for [2-(3-methylphenyl)azepan-1-yl]-morpholin-2-ylmethanone is Cc1cccc(C2CCCCCN2C(=O)C2CNCCO2)c1.
What is the InChIKey of [2-(3-methylphenyl)azepan-1-yl]-morpholin-2-ylmethanone?
The InChIKey is NVGYQHOYOODNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-14-6-5-7-15(12-14)16-8-3-2-4-10-20(16)18(21)17-13-19-9-11-22-17/h5-7,12,16-17,19H,2-4,8-11,13H2,1H3.
What are the key properties of [2-(3-methylphenyl)azepan-1-yl]-morpholin-2-ylmethanone?
[2-(3-methylphenyl)azepan-1-yl]-morpholin-2-ylmethanone has a molecular weight of 302.42 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylphenyl)azepan-1-yl]-morpholin-2-ylmethanone is sourced from PubChem (CID 119792785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).