2-(dimethylamino)-N-(3,4-dimethylcyclohexa-1,3-dien-1-yl)acetamide

C12H20N2O — CID 123961968

IUPAC2-(dimethylamino)-N-(3,4-dimethylcyclohexa-1,3-dien-1-yl)acetamide
SMILESCC1=C(C)CCC(NC(=O)CN(C)C)=C1
InChIInChI=1S/C12H20N2O/c1-9-5-6-11(7-10(9)2)13-12(15)8-14(3)4/h7H,5-6,8H2,1-4H3,(H,13,15)
InChIKeyLJMQZDHCLIDBRM-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.68
Rot. Bonds3

About 2-(dimethylamino)-N-(3,4-dimethylcyclohexa-1,3-dien-1-yl)acetamide

2-(dimethylamino)-N-(3,4-dimethylcyclohexa-1,3-dien-1-yl)acetamide (PubChem CID 123961968) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-(dimethylamino)-N-(3,4-dimethylcyclohexa-1,3-dien-1-yl)acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-(3,4-dimethylcyclohexa-1,3-dien-1-yl)acetamide
PubChem CID123961968
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2-(dimethylamino)-N-(3,4-dimethylcyclohexa-1,3-dien-1-yl)acetamide
SMILESCC1=C(C)CCC(NC(=O)CN(C)C)=C1
InChIInChI=1S/C12H20N2O/c1-9-5-6-11(7-10(9)2)13-12(15)8-14(3)4/h7H,5-6,8H2,1-4H3,(H,13,15)
InChIKeyLJMQZDHCLIDBRM-UHFFFAOYSA-N
XLogP1.68
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 59268968
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CID 135161418
N-ethyl-2-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridine-6-carboxamide
CID 175565382
6,7-Dimethyltetrahydro-2-quinoxalone
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CID 18943505
6-butyl-3-piperidin-1-yl-1H-pyridin-2-one
CID 19012275
N-(6-butyl-2-oxo-1H-pyridin-3-yl)-N,2-dimethylpropanamide
CID 19012345
6-butyl-3-pyrrolidin-1-yl-1H-pyridin-2-one
CID 19012426
N-(6-butyl-4-methyl-2-oxo-1H-pyridin-3-yl)butanamide
CID 21804455
N-(6-butyl-4-methyl-2-oxo-1H-pyridin-3-yl)acetamide
CID 53707400
7-Ethyl-6-methyl-1,2,3,4-tetrahydro-1,7-naphthyridin-8-one
CID 53910867
N-(1,5-diethyl-2-methyl-2H-pyridin-3-yl)acetamide
CID 57008675

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-(3,4-dimethylcyclohexa-1,3-dien-1-yl)acetamide?
The IUPAC name of 2-(dimethylamino)-N-(3,4-dimethylcyclohexa-1,3-dien-1-yl)acetamide (CID 123961968) is 2-(dimethylamino)-N-(3,4-dimethylcyclohexa-1,3-dien-1-yl)acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-(3,4-dimethylcyclohexa-1,3-dien-1-yl)acetamide?
The canonical SMILES for 2-(dimethylamino)-N-(3,4-dimethylcyclohexa-1,3-dien-1-yl)acetamide is CC1=C(C)CCC(NC(=O)CN(C)C)=C1.
What is the InChIKey of 2-(dimethylamino)-N-(3,4-dimethylcyclohexa-1,3-dien-1-yl)acetamide?
The InChIKey is LJMQZDHCLIDBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-9-5-6-11(7-10(9)2)13-12(15)8-14(3)4/h7H,5-6,8H2,1-4H3,(H,13,15).
What are the key properties of 2-(dimethylamino)-N-(3,4-dimethylcyclohexa-1,3-dien-1-yl)acetamide?
2-(dimethylamino)-N-(3,4-dimethylcyclohexa-1,3-dien-1-yl)acetamide has a molecular weight of 208.30 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-(3,4-dimethylcyclohexa-1,3-dien-1-yl)acetamide is sourced from PubChem (CID 123961968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).