N-(azepan-4-yl)-2-methoxy-5-methylbenzamide

C15H22N2O2 — CID 105058771

IUPACN-(azepan-4-yl)-2-methoxy-5-methylbenzamide
SMILESCOc1ccc(C)cc1C(=O)NC1CCCNCC1
InChIInChI=1S/C15H22N2O2/c1-11-5-6-14(19-2)13(10-11)15(18)17-12-4-3-8-16-9-7-12/h5-6,10,12,16H,3-4,7-9H2,1-2H3,(H,17,18)
InChIKeyTXJSTBWHZWXMSA-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.88
Rot. Bonds3

About N-(azepan-4-yl)-2-methoxy-5-methylbenzamide

N-(azepan-4-yl)-2-methoxy-5-methylbenzamide (PubChem CID 105058771) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-(azepan-4-yl)-2-methoxy-5-methylbenzamide.

Molecular Properties

Compound NameN-(azepan-4-yl)-2-methoxy-5-methylbenzamide
PubChem CID105058771
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-(azepan-4-yl)-2-methoxy-5-methylbenzamide
SMILESCOc1ccc(C)cc1C(=O)NC1CCCNCC1
InChIInChI=1S/C15H22N2O2/c1-11-5-6-14(19-2)13(10-11)15(18)17-12-4-3-8-16-9-7-12/h5-6,10,12,16H,3-4,7-9H2,1-2H3,(H,17,18)
InChIKeyTXJSTBWHZWXMSA-UHFFFAOYSA-N
XLogP1.88
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(azepan-4-yl)-2,4-dimethylbenzamide
CID 105058394
2-bromo-5-methyl-N-piperidin-4-ylbenzamide
CID 81111210
2-fluoro-4-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389290
N-(4-bromocyclohexyl)-2-methoxy-5-methylbenzamide
CID 113274311
2-methoxy-N-piperidin-4-ylbenzamide
CID 16780894
2,4,5-trimethoxy-N-piperidin-3-ylbenzamide;hydrochloride
CID 119426612
N-(azepan-4-yl)-2-hydroxy-5-methoxybenzamide
CID 107172227
2-fluoro-5-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119387686
2,3,4-trimethoxy-N-[(3R)-piperidin-3-yl]benzamide
CID 104645571
N-cyclohexyl-2,5-dimethoxybenzamide
CID 8573659
N-(azepan-4-yl)-2-fluoro-6-methoxybenzamide
CID 105059143
4-chloro-2-methoxy-N-piperidin-3-ylbenzamide
CID 63321384

Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)-2-methoxy-5-methylbenzamide?
The IUPAC name of N-(azepan-4-yl)-2-methoxy-5-methylbenzamide (CID 105058771) is N-(azepan-4-yl)-2-methoxy-5-methylbenzamide.
What is the SMILES notation for N-(azepan-4-yl)-2-methoxy-5-methylbenzamide?
The canonical SMILES for N-(azepan-4-yl)-2-methoxy-5-methylbenzamide is COc1ccc(C)cc1C(=O)NC1CCCNCC1.
What is the InChIKey of N-(azepan-4-yl)-2-methoxy-5-methylbenzamide?
The InChIKey is TXJSTBWHZWXMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-5-6-14(19-2)13(10-11)15(18)17-12-4-3-8-16-9-7-12/h5-6,10,12,16H,3-4,7-9H2,1-2H3,(H,17,18).
What are the key properties of N-(azepan-4-yl)-2-methoxy-5-methylbenzamide?
N-(azepan-4-yl)-2-methoxy-5-methylbenzamide has a molecular weight of 262.35 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-4-yl)-2-methoxy-5-methylbenzamide is sourced from PubChem (CID 105058771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).