N,N-dimethyl-2-propan-2-ylbenzamide;1-ethyl-3-propan-2-ylpyridin-2-one

C22H32N2O2 — CID 177347775

IUPACN,N-dimethyl-2-propan-2-ylbenzamide;1-ethyl-3-propan-2-ylpyridin-2-one
SMILESCC(C)c1ccccc1C(=O)N(C)C.CCn1cccc(C(C)C)c1=O
InChIInChI=1S/C12H17NO.C10H15NO/c1-9(2)10-7-5-6-8-11(10)12(14)13(3)4;1-4-11-7-5-6-9(8(2)3)10(11)12/h5-9H,1-4H3;5-8H,4H2,1-3H3
InChIKeyQOGMZMQSDXWPRQ-UHFFFAOYSA-N
MW356.51 g/mol
LogP4.50
Rot. Bonds4

About N,N-dimethyl-2-propan-2-ylbenzamide;1-ethyl-3-propan-2-ylpyridin-2-one

N,N-dimethyl-2-propan-2-ylbenzamide;1-ethyl-3-propan-2-ylpyridin-2-one (PubChem CID 177347775) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is N,N-dimethyl-2-propan-2-ylbenzamide;1-ethyl-3-propan-2-ylpyridin-2-one.

Molecular Properties

Compound NameN,N-dimethyl-2-propan-2-ylbenzamide;1-ethyl-3-propan-2-ylpyridin-2-one
PubChem CID177347775
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC NameN,N-dimethyl-2-propan-2-ylbenzamide;1-ethyl-3-propan-2-ylpyridin-2-one
SMILESCC(C)c1ccccc1C(=O)N(C)C.CCn1cccc(C(C)C)c1=O
InChIInChI=1S/C12H17NO.C10H15NO/c1-9(2)10-7-5-6-8-11(10)12(14)13(3)4;1-4-11-7-5-6-9(8(2)3)10(11)12/h5-9H,1-4H3;5-8H,4H2,1-3H3
InChIKeyQOGMZMQSDXWPRQ-UHFFFAOYSA-N
XLogP4.50
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylpropyl)-3-propan-2-ylpyridin-2-one
CID 178098988
1-(2-ethoxyethyl)-3-propan-2-ylpyridin-2-one
CID 178098981
1,2-bis(2-propan-2-ylphenyl)ethane-1,2-dione
CID 67945637
1-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-oxo-N-(2-phenylpropyl)pyridine-3-carboxamide
CID 110246860
N-tert-butyl-2-propan-2-ylbenzohydrazide
CID 173295055
ethane;1-[(1-methoxycyclopropyl)methyl]-3-propan-2-ylpyridin-2-one
CID 178098891
N,N-dimethyl-2-(2-methylpropyl)pyridine-3-carboxamide
CID 58286837
2-[(1-ethylimidazol-2-yl)methylamino]-N,N-dimethylbenzamide
CID 62351342
N-methyl-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-N-[(2R)-2-phenylpropyl]pyridine-3-carboxamide
CID 92635837
3-(1-ethyl-2-oxo-3-pyridinyl)propanoic acid
CID 82527174
N-(1-hydroxypropan-2-yl)-N-methyl-1-propylpyrrole-2-carboxamide
CID 104553472
[5-[(2,3-dimethyl-2-propan-2-ylbutyl)-methylamino]-2-(trifluoromethyl)phenyl]-(2-propan-2-ylphenyl)methanone
CID 58367665

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-propan-2-ylbenzamide;1-ethyl-3-propan-2-ylpyridin-2-one?
The IUPAC name of N,N-dimethyl-2-propan-2-ylbenzamide;1-ethyl-3-propan-2-ylpyridin-2-one (CID 177347775) is N,N-dimethyl-2-propan-2-ylbenzamide;1-ethyl-3-propan-2-ylpyridin-2-one.
What is the SMILES notation for N,N-dimethyl-2-propan-2-ylbenzamide;1-ethyl-3-propan-2-ylpyridin-2-one?
The canonical SMILES for N,N-dimethyl-2-propan-2-ylbenzamide;1-ethyl-3-propan-2-ylpyridin-2-one is CC(C)c1ccccc1C(=O)N(C)C.CCn1cccc(C(C)C)c1=O.
What is the InChIKey of N,N-dimethyl-2-propan-2-ylbenzamide;1-ethyl-3-propan-2-ylpyridin-2-one?
The InChIKey is QOGMZMQSDXWPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO.C10H15NO/c1-9(2)10-7-5-6-8-11(10)12(14)13(3)4;1-4-11-7-5-6-9(8(2)3)10(11)12/h5-9H,1-4H3;5-8H,4H2,1-3H3.
What are the key properties of N,N-dimethyl-2-propan-2-ylbenzamide;1-ethyl-3-propan-2-ylpyridin-2-one?
N,N-dimethyl-2-propan-2-ylbenzamide;1-ethyl-3-propan-2-ylpyridin-2-one has a molecular weight of 356.51 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-propan-2-ylbenzamide;1-ethyl-3-propan-2-ylpyridin-2-one is sourced from PubChem (CID 177347775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).