N,2-dimethyl-N-(3-methylbuta-1,2-dienyl)benzamide

C14H17NO — CID 86054659

IUPACN,2-dimethyl-N-(3-methylbuta-1,2-dienyl)benzamide
SMILESCC(C)=C=CN(C)C(=O)c1ccccc1C
InChIInChI=1S/C14H17NO/c1-11(2)9-10-15(4)14(16)13-8-6-5-7-12(13)3/h5-8,10H,1-4H3
InChIKeyJRMPWSCVHVAGMJ-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.15
Rot. Bonds2

About N,2-dimethyl-N-(3-methylbuta-1,2-dienyl)benzamide

N,2-dimethyl-N-(3-methylbuta-1,2-dienyl)benzamide (PubChem CID 86054659) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is N,2-dimethyl-N-(3-methylbuta-1,2-dienyl)benzamide.

Molecular Properties

Compound NameN,2-dimethyl-N-(3-methylbuta-1,2-dienyl)benzamide
PubChem CID86054659
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC NameN,2-dimethyl-N-(3-methylbuta-1,2-dienyl)benzamide
SMILESCC(C)=C=CN(C)C(=O)c1ccccc1C
InChIInChI=1S/C14H17NO/c1-11(2)9-10-15(4)14(16)13-8-6-5-7-12(13)3/h5-8,10H,1-4H3
InChIKeyJRMPWSCVHVAGMJ-UHFFFAOYSA-N
XLogP3.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,2-dimethylbenzohydrazide;hydrochloride
CID 21321934
N-(2-cyanopropan-2-yl)-N,2-dimethylbenzamide
CID 82127029
N-chloro-N,2-dimethylbenzamide
CID 166437996
N-iodo-N,2-dimethylbenzamide
CID 143099347
N,2-dimethyl-N-propylbenzamide;ethane
CID 142246396
N,2-dimethyl-N-(2-methylphenyl)benzamide
CID 71395326
N,2-dimethyl-N-phenylbenzamide
CID 5222383
N,2-dimethyl-N-(4-methylphenyl)benzamide
CID 58207098
ethane;1-(2-methylphenyl)ethanone
CID 91374073
1-[(E)-but-2-en-2-yl]-2-methylbenzene
CID 12835573
ethyl 2-[methyl-(2-methylbenzoyl)amino]acetate
CID 54785112
3-(dimethylamino)-1-(2-methylphenyl)prop-2-yn-1-one
CID 116825545

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(3-methylbuta-1,2-dienyl)benzamide?
The IUPAC name of N,2-dimethyl-N-(3-methylbuta-1,2-dienyl)benzamide (CID 86054659) is N,2-dimethyl-N-(3-methylbuta-1,2-dienyl)benzamide.
What is the SMILES notation for N,2-dimethyl-N-(3-methylbuta-1,2-dienyl)benzamide?
The canonical SMILES for N,2-dimethyl-N-(3-methylbuta-1,2-dienyl)benzamide is CC(C)=C=CN(C)C(=O)c1ccccc1C.
What is the InChIKey of N,2-dimethyl-N-(3-methylbuta-1,2-dienyl)benzamide?
The InChIKey is JRMPWSCVHVAGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-11(2)9-10-15(4)14(16)13-8-6-5-7-12(13)3/h5-8,10H,1-4H3.
What are the key properties of N,2-dimethyl-N-(3-methylbuta-1,2-dienyl)benzamide?
N,2-dimethyl-N-(3-methylbuta-1,2-dienyl)benzamide has a molecular weight of 215.30 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(3-methylbuta-1,2-dienyl)benzamide is sourced from PubChem (CID 86054659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).