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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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).