N,3-dimethyl-4-(oxepan-4-ylamino)benzamide

C15H22N2O2 — CID 65081443

IUPACN,3-dimethyl-4-(oxepan-4-ylamino)benzamide
SMILESCNC(=O)c1ccc(NC2CCCOCC2)c(C)c1
InChIInChI=1S/C15H22N2O2/c1-11-10-12(15(18)16-2)5-6-14(11)17-13-4-3-8-19-9-7-13/h5-6,10,13,17H,3-4,7-9H2,1-2H3,(H,16,18)
InChIKeyZUYVJGMRZYFBTL-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.34
Rot. Bonds3

About N,3-dimethyl-4-(oxepan-4-ylamino)benzamide

N,3-dimethyl-4-(oxepan-4-ylamino)benzamide (PubChem CID 65081443) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N,3-dimethyl-4-(oxepan-4-ylamino)benzamide.

Molecular Properties

Compound NameN,3-dimethyl-4-(oxepan-4-ylamino)benzamide
PubChem CID65081443
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN,3-dimethyl-4-(oxepan-4-ylamino)benzamide
SMILESCNC(=O)c1ccc(NC2CCCOCC2)c(C)c1
InChIInChI=1S/C15H22N2O2/c1-11-10-12(15(18)16-2)5-6-14(11)17-13-4-3-8-19-9-7-13/h5-6,10,13,17H,3-4,7-9H2,1-2H3,(H,16,18)
InChIKeyZUYVJGMRZYFBTL-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-methyl-4-(oxepan-4-ylamino)benzoate
CID 65081947
3-(cycloheptylamino)-N,4-dimethylbenzamide
CID 43726864
N,3-dimethyl-4-[(3-propan-2-ylcyclobutyl)amino]benzamide
CID 103561516
4-(cyclobutylamino)-3-fluoro-N-methylbenzamide
CID 174641609
N,3-dimethyl-4-[(2-methylcyclopentyl)amino]benzamide
CID 65044342
methyl 4-(cyclopentylamino)-3-methylbenzoate
CID 43730521
4-(cycloheptylamino)-N-methyl-3-nitrobenzamide
CID 78969732
3-[(4-aminocyclohexyl)amino]-N,4-dimethylbenzamide
CID 79730916
4-(2-bicyclo[2.2.1]heptanylamino)-N,3-dimethylbenzamide
CID 61309173
4-methoxy-3-(oxepan-4-ylamino)benzamide
CID 65081746
4-[3-(cyclopropylamino)propanoylamino]-N,3-dimethylbenzamide
CID 60868168
4-(cyclobutylamino)-3-methylbenzenecarbothioamide
CID 62415378

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-4-(oxepan-4-ylamino)benzamide?
The IUPAC name of N,3-dimethyl-4-(oxepan-4-ylamino)benzamide (CID 65081443) is N,3-dimethyl-4-(oxepan-4-ylamino)benzamide.
What is the SMILES notation for N,3-dimethyl-4-(oxepan-4-ylamino)benzamide?
The canonical SMILES for N,3-dimethyl-4-(oxepan-4-ylamino)benzamide is CNC(=O)c1ccc(NC2CCCOCC2)c(C)c1.
What is the InChIKey of N,3-dimethyl-4-(oxepan-4-ylamino)benzamide?
The InChIKey is ZUYVJGMRZYFBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-10-12(15(18)16-2)5-6-14(11)17-13-4-3-8-19-9-7-13/h5-6,10,13,17H,3-4,7-9H2,1-2H3,(H,16,18).
What are the key properties of N,3-dimethyl-4-(oxepan-4-ylamino)benzamide?
N,3-dimethyl-4-(oxepan-4-ylamino)benzamide has a molecular weight of 262.35 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-4-(oxepan-4-ylamino)benzamide is sourced from PubChem (CID 65081443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).