N-[2-[cycloheptyl(methyl)amino]-2-oxoethyl]-3,5-dimethylbenzamide

C19H28N2O2 — CID 112805274

IUPACN-[2-[cycloheptyl(methyl)amino]-2-oxoethyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NCC(=O)N(C)C2CCCCCC2)c1
InChIInChI=1S/C19H28N2O2/c1-14-10-15(2)12-16(11-14)19(23)20-13-18(22)21(3)17-8-6-4-5-7-9-17/h10-12,17H,4-9,13H2,1-3H3,(H,20,23)
InChIKeyTWGRHSRGMWWOCR-UHFFFAOYSA-N
MW316.45 g/mol
LogP3.21
Rot. Bonds4

About N-[2-[cycloheptyl(methyl)amino]-2-oxoethyl]-3,5-dimethylbenzamide

N-[2-[cycloheptyl(methyl)amino]-2-oxoethyl]-3,5-dimethylbenzamide (PubChem CID 112805274) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is N-[2-[cycloheptyl(methyl)amino]-2-oxoethyl]-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-[cycloheptyl(methyl)amino]-2-oxoethyl]-3,5-dimethylbenzamide
PubChem CID112805274
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC NameN-[2-[cycloheptyl(methyl)amino]-2-oxoethyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NCC(=O)N(C)C2CCCCCC2)c1
InChIInChI=1S/C19H28N2O2/c1-14-10-15(2)12-16(11-14)19(23)20-13-18(22)21(3)17-8-6-4-5-7-9-17/h10-12,17H,4-9,13H2,1-3H3,(H,20,23)
InChIKeyTWGRHSRGMWWOCR-UHFFFAOYSA-N
XLogP3.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[2-[cyclopentyl(methyl)amino]-2-oxoethyl]benzamide
CID 43213215
3-bromo-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]benzamide
CID 51210719
3-bromo-N-[2-[cycloheptyl(methyl)amino]-2-oxoethyl]benzamide
CID 78828352
N-[2-(diethylamino)-2-oxoethyl]-3,5-dimethylbenzamide
CID 51161803
N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 27670701
4-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-N-ethylbenzamide
CID 54839256
N-[2-[cyclopentyl(methyl)amino]-2-oxoethyl]-2-phenylacetamide
CID 47128707
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
CID 7899367
3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-N-propylbenzamide
CID 54838807
N-[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 51238277
N-cyclohexyl-N-methyl-2-(phenylcarbamoylamino)acetamide
CID 34249185
N-[2-[methyl(piperidin-3-yl)amino]-2-oxoethyl]benzamide
CID 60807055

Frequently Asked Questions

What is the IUPAC name of N-[2-[cycloheptyl(methyl)amino]-2-oxoethyl]-3,5-dimethylbenzamide?
The IUPAC name of N-[2-[cycloheptyl(methyl)amino]-2-oxoethyl]-3,5-dimethylbenzamide (CID 112805274) is N-[2-[cycloheptyl(methyl)amino]-2-oxoethyl]-3,5-dimethylbenzamide.
What is the SMILES notation for N-[2-[cycloheptyl(methyl)amino]-2-oxoethyl]-3,5-dimethylbenzamide?
The canonical SMILES for N-[2-[cycloheptyl(methyl)amino]-2-oxoethyl]-3,5-dimethylbenzamide is Cc1cc(C)cc(C(=O)NCC(=O)N(C)C2CCCCCC2)c1.
What is the InChIKey of N-[2-[cycloheptyl(methyl)amino]-2-oxoethyl]-3,5-dimethylbenzamide?
The InChIKey is TWGRHSRGMWWOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-14-10-15(2)12-16(11-14)19(23)20-13-18(22)21(3)17-8-6-4-5-7-9-17/h10-12,17H,4-9,13H2,1-3H3,(H,20,23).
What are the key properties of N-[2-[cycloheptyl(methyl)amino]-2-oxoethyl]-3,5-dimethylbenzamide?
N-[2-[cycloheptyl(methyl)amino]-2-oxoethyl]-3,5-dimethylbenzamide has a molecular weight of 316.45 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cycloheptyl(methyl)amino]-2-oxoethyl]-3,5-dimethylbenzamide is sourced from PubChem (CID 112805274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).