2-cyclohexa-1,5-dien-1-yl-N-methyl-2-[methyl(propan-2-yl)amino]acetamide

C13H22N2O — CID 171554078

IUPAC2-cyclohexa-1,5-dien-1-yl-N-methyl-2-[methyl(propan-2-yl)amino]acetamide
SMILESCNC(=O)C(C1=CCCC=C1)N(C)C(C)C
InChIInChI=1S/C13H22N2O/c1-10(2)15(4)12(13(16)14-3)11-8-6-5-7-9-11/h6,8-10,12H,5,7H2,1-4H3,(H,14,16)
InChIKeyFAQPOZCFLPFHCP-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.72
Rot. Bonds4

About 2-cyclohexa-1,5-dien-1-yl-N-methyl-2-[methyl(propan-2-yl)amino]acetamide

2-cyclohexa-1,5-dien-1-yl-N-methyl-2-[methyl(propan-2-yl)amino]acetamide (PubChem CID 171554078) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-cyclohexa-1,5-dien-1-yl-N-methyl-2-[methyl(propan-2-yl)amino]acetamide.

Molecular Properties

Compound Name2-cyclohexa-1,5-dien-1-yl-N-methyl-2-[methyl(propan-2-yl)amino]acetamide
PubChem CID171554078
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-cyclohexa-1,5-dien-1-yl-N-methyl-2-[methyl(propan-2-yl)amino]acetamide
SMILESCNC(=O)C(C1=CCCC=C1)N(C)C(C)C
InChIInChI=1S/C13H22N2O/c1-10(2)15(4)12(13(16)14-3)11-8-6-5-7-9-11/h6,8-10,12H,5,7H2,1-4H3,(H,14,16)
InChIKeyFAQPOZCFLPFHCP-UHFFFAOYSA-N
XLogP1.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-cyclohexa-1,5-dien-1-yl-2-(methylamino)-2-oxoethyl]-N-methylprop-2-enamide
CID 176676763
1-cyclohexa-1,5-dien-1-yl-N-methylethanamine
CID 142152612
(1R)-1-cyclohexa-1,5-dien-1-ylethanol
CID 101132775
3-amino-2-cyclohexa-1,5-dien-1-ylpropanoic acid
CID 123359792
1-cyclohexa-1,5-dien-1-yl-3-(methylamino)propan-1-ol
CID 89296934
2-cyclohexa-1,5-dien-1-ylbutanoic acid;ethane;ethene;fluoromethane
CID 144558803
di(cyclohexa-1,5-dien-1-yl)methanone;ethane
CID 144664025
2-chloro-2-cyclohexa-1,5-dien-1-yl-N,N-dimethylethanamine
CID 170023943
ethane;N-methyl-N-[(Z)-2-(methylamino)ethenyl]cyclohexa-1,5-diene-1-carboxamide
CID 142032761
N'-cyclohexa-1,5-dien-1-yl-N-methylpropanediamide
CID 143768709
(2R)-2-(chloroamino)-N,3-dimethylbutanamide
CID 88902514
N-(1-cyclohexa-1,5-dien-1-ylethoxy)-N,2-dimethyl-1-phenylpropan-1-amine;methane
CID 159779840

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,5-dien-1-yl-N-methyl-2-[methyl(propan-2-yl)amino]acetamide?
The IUPAC name of 2-cyclohexa-1,5-dien-1-yl-N-methyl-2-[methyl(propan-2-yl)amino]acetamide (CID 171554078) is 2-cyclohexa-1,5-dien-1-yl-N-methyl-2-[methyl(propan-2-yl)amino]acetamide.
What is the SMILES notation for 2-cyclohexa-1,5-dien-1-yl-N-methyl-2-[methyl(propan-2-yl)amino]acetamide?
The canonical SMILES for 2-cyclohexa-1,5-dien-1-yl-N-methyl-2-[methyl(propan-2-yl)amino]acetamide is CNC(=O)C(C1=CCCC=C1)N(C)C(C)C.
What is the InChIKey of 2-cyclohexa-1,5-dien-1-yl-N-methyl-2-[methyl(propan-2-yl)amino]acetamide?
The InChIKey is FAQPOZCFLPFHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-10(2)15(4)12(13(16)14-3)11-8-6-5-7-9-11/h6,8-10,12H,5,7H2,1-4H3,(H,14,16).
What are the key properties of 2-cyclohexa-1,5-dien-1-yl-N-methyl-2-[methyl(propan-2-yl)amino]acetamide?
2-cyclohexa-1,5-dien-1-yl-N-methyl-2-[methyl(propan-2-yl)amino]acetamide has a molecular weight of 222.33 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,5-dien-1-yl-N-methyl-2-[methyl(propan-2-yl)amino]acetamide is sourced from PubChem (CID 171554078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).