3,5-dimethyl-N-[2-[[(1S)-2-methyl-1-pyridin-2-ylpropyl]amino]-2-oxoethyl]benzamide

C20H25N3O2 — CID 95981391

IUPAC3,5-dimethyl-N-[2-[[(1S)-2-methyl-1-pyridin-2-ylpropyl]amino]-2-oxoethyl]benzamide
SMILESCc1cc(C)cc(C(=O)NCC(=O)N[C@H](c2ccccn2)C(C)C)c1
InChIInChI=1S/C20H25N3O2/c1-13(2)19(17-7-5-6-8-21-17)23-18(24)12-22-20(25)16-10-14(3)9-15(4)11-16/h5-11,13,19H,12H2,1-4H3,(H,22,25)(H,23,24)/t19-/m0/s1
InChIKeyLTCVOGHWGKKCNX-IBGZPJMESA-N
MW339.44 g/mol
LogP2.94
Rot. Bonds6

About 3,5-dimethyl-N-[2-[[(1S)-2-methyl-1-pyridin-2-ylpropyl]amino]-2-oxoethyl]benzamide

3,5-dimethyl-N-[2-[[(1S)-2-methyl-1-pyridin-2-ylpropyl]amino]-2-oxoethyl]benzamide (PubChem CID 95981391) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-[[(1S)-2-methyl-1-pyridin-2-ylpropyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-[[(1S)-2-methyl-1-pyridin-2-ylpropyl]amino]-2-oxoethyl]benzamide
PubChem CID95981391
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name3,5-dimethyl-N-[2-[[(1S)-2-methyl-1-pyridin-2-ylpropyl]amino]-2-oxoethyl]benzamide
SMILESCc1cc(C)cc(C(=O)NCC(=O)N[C@H](c2ccccn2)C(C)C)c1
InChIInChI=1S/C20H25N3O2/c1-13(2)19(17-7-5-6-8-21-17)23-18(24)12-22-20(25)16-10-14(3)9-15(4)11-16/h5-11,13,19H,12H2,1-4H3,(H,22,25)(H,23,24)/t19-/m0/s1
InChIKeyLTCVOGHWGKKCNX-IBGZPJMESA-N
XLogP2.94
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(2-pyridin-2-ylpropyl)benzamide
CID 91333168
N-[2-[[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 25478783
3,5-dimethyl-N-[2-oxo-2-[(5-pyridin-2-yl-1H-pyrazol-4-yl)amino]ethyl]benzamide
CID 86796993
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(2-methyl-1-pyridin-2-ylpropyl)urea
CID 71989931
6-(aminomethyl)-2-methyl-N-(2-methyl-1-pyridin-2-ylpropyl)pyridine-3-carboxamide;dihydrochloride
CID 86814402
3,5-dimethyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 26537864
(2R)-N-[(1S)-2-methyl-1-pyridin-2-ylpropyl]-2-pyridin-2-ylsulfanylpropanamide
CID 97079268
3-methyl-N-[(1S)-2-methyl-1-pyridin-2-ylpropyl]imidazole-4-carboxamide
CID 125442338
(2R)-N-[(1S)-2-methyl-1-pyridin-2-ylpropyl]oxolane-2-carboxamide
CID 96504930
3,5-dimethyl-N-[2-oxo-2-[[4-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide
CID 60516567
3,5-dimethyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 27256307
N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-[[(1S)-2-methyl-1-pyridin-2-ylpropyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 3,5-dimethyl-N-[2-[[(1S)-2-methyl-1-pyridin-2-ylpropyl]amino]-2-oxoethyl]benzamide (CID 95981391) is 3,5-dimethyl-N-[2-[[(1S)-2-methyl-1-pyridin-2-ylpropyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3,5-dimethyl-N-[2-[[(1S)-2-methyl-1-pyridin-2-ylpropyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 3,5-dimethyl-N-[2-[[(1S)-2-methyl-1-pyridin-2-ylpropyl]amino]-2-oxoethyl]benzamide is Cc1cc(C)cc(C(=O)NCC(=O)N[C@H](c2ccccn2)C(C)C)c1.
What is the InChIKey of 3,5-dimethyl-N-[2-[[(1S)-2-methyl-1-pyridin-2-ylpropyl]amino]-2-oxoethyl]benzamide?
The InChIKey is LTCVOGHWGKKCNX-IBGZPJMESA-N. The full InChI is InChI=1S/C20H25N3O2/c1-13(2)19(17-7-5-6-8-21-17)23-18(24)12-22-20(25)16-10-14(3)9-15(4)11-16/h5-11,13,19H,12H2,1-4H3,(H,22,25)(H,23,24)/t19-/m0/s1.
What are the key properties of 3,5-dimethyl-N-[2-[[(1S)-2-methyl-1-pyridin-2-ylpropyl]amino]-2-oxoethyl]benzamide?
3,5-dimethyl-N-[2-[[(1S)-2-methyl-1-pyridin-2-ylpropyl]amino]-2-oxoethyl]benzamide has a molecular weight of 339.44 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[2-[[(1S)-2-methyl-1-pyridin-2-ylpropyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 95981391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).