N-(2-cyano-1-methoxypropan-2-yl)-3-[(dimethylamino)methyl]benzamide

C15H21N3O2 — CID 71849704

IUPACN-(2-cyano-1-methoxypropan-2-yl)-3-[(dimethylamino)methyl]benzamide
SMILESCOCC(C)(C#N)NC(=O)c1cccc(CN(C)C)c1
InChIInChI=1S/C15H21N3O2/c1-15(10-16,11-20-4)17-14(19)13-7-5-6-12(8-13)9-18(2)3/h5-8H,9,11H2,1-4H3,(H,17,19)
InChIKeyCUURESOBVXOTIK-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.41
Rot. Bonds6

About N-(2-cyano-1-methoxypropan-2-yl)-3-[(dimethylamino)methyl]benzamide

N-(2-cyano-1-methoxypropan-2-yl)-3-[(dimethylamino)methyl]benzamide (PubChem CID 71849704) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-(2-cyano-1-methoxypropan-2-yl)-3-[(dimethylamino)methyl]benzamide.

Molecular Properties

Compound NameN-(2-cyano-1-methoxypropan-2-yl)-3-[(dimethylamino)methyl]benzamide
PubChem CID71849704
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-(2-cyano-1-methoxypropan-2-yl)-3-[(dimethylamino)methyl]benzamide
SMILESCOCC(C)(C#N)NC(=O)c1cccc(CN(C)C)c1
InChIInChI=1S/C15H21N3O2/c1-15(10-16,11-20-4)17-14(19)13-7-5-6-12(8-13)9-18(2)3/h5-8H,9,11H2,1-4H3,(H,17,19)
InChIKeyCUURESOBVXOTIK-UHFFFAOYSA-N
XLogP1.41
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[3-[(dimethylamino)methyl]benzoyl]amino]-4-methylpentanoic acid
CID 119357228
1-[3-[(dimethylamino)methyl]phenyl]-2,2-dimethylpropan-1-one
CID 58256831
N-(2-cyanobutan-2-yl)-3-methylbenzamide
CID 51089539
4-bromo-N-(2-cyano-1-methoxypropan-2-yl)-2-hydroxybenzamide
CID 75439807
3-[3-[(dimethylamino)methyl]phenyl]benzohydrazide
CID 177345259
3-[(dimethylamino)methyl]-N-[(4-ethylphenyl)methyl]benzamide
CID 119041971
2-[[3-(cyanomethyl)benzoyl]amino]-2-methylpropanoic acid
CID 75482420
N-(3-aminopropyl)-3-[(dimethylamino)methyl]benzamide
CID 84613738
N-(4-aminophenyl)-3-[(dimethylamino)methyl]benzamide
CID 84613744
3-[(dimethylamino)methyl]benzamide;hydrochloride
CID 68818367
N-(2-cyano-1-methoxypropan-2-yl)-4-fluoro-2-(trifluoromethyl)benzamide
CID 86781173
N-(2-amino-2-ethylbutyl)-3-[(dimethylamino)methyl]benzamide;dihydrochloride
CID 119641082

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-1-methoxypropan-2-yl)-3-[(dimethylamino)methyl]benzamide?
The IUPAC name of N-(2-cyano-1-methoxypropan-2-yl)-3-[(dimethylamino)methyl]benzamide (CID 71849704) is N-(2-cyano-1-methoxypropan-2-yl)-3-[(dimethylamino)methyl]benzamide.
What is the SMILES notation for N-(2-cyano-1-methoxypropan-2-yl)-3-[(dimethylamino)methyl]benzamide?
The canonical SMILES for N-(2-cyano-1-methoxypropan-2-yl)-3-[(dimethylamino)methyl]benzamide is COCC(C)(C#N)NC(=O)c1cccc(CN(C)C)c1.
What is the InChIKey of N-(2-cyano-1-methoxypropan-2-yl)-3-[(dimethylamino)methyl]benzamide?
The InChIKey is CUURESOBVXOTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-15(10-16,11-20-4)17-14(19)13-7-5-6-12(8-13)9-18(2)3/h5-8H,9,11H2,1-4H3,(H,17,19).
What are the key properties of N-(2-cyano-1-methoxypropan-2-yl)-3-[(dimethylamino)methyl]benzamide?
N-(2-cyano-1-methoxypropan-2-yl)-3-[(dimethylamino)methyl]benzamide has a molecular weight of 275.35 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-1-methoxypropan-2-yl)-3-[(dimethylamino)methyl]benzamide is sourced from PubChem (CID 71849704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).