3-(1-methyl-2H-pyridin-2-yl)-3-phenyl-N,N-di(propan-2-yl)propanamide

C21H30N2O — CID 141002984

IUPAC3-(1-methyl-2H-pyridin-2-yl)-3-phenyl-N,N-di(propan-2-yl)propanamide
SMILESCC(C)N(C(=O)CC(c1ccccc1)C1C=CC=CN1C)C(C)C
InChIInChI=1S/C21H30N2O/c1-16(2)23(17(3)4)21(24)15-19(18-11-7-6-8-12-18)20-13-9-10-14-22(20)5/h6-14,16-17,19-20H,15H2,1-5H3
InChIKeyWVALLBLACUFBMG-UHFFFAOYSA-N
MW326.48 g/mol
LogP4.19
Rot. Bonds6

About 3-(1-methyl-2H-pyridin-2-yl)-3-phenyl-N,N-di(propan-2-yl)propanamide

3-(1-methyl-2H-pyridin-2-yl)-3-phenyl-N,N-di(propan-2-yl)propanamide (PubChem CID 141002984) has the molecular formula C21H30N2O and a molecular weight of 326.48 g/mol. Its IUPAC name is 3-(1-methyl-2H-pyridin-2-yl)-3-phenyl-N,N-di(propan-2-yl)propanamide.

Molecular Properties

Compound Name3-(1-methyl-2H-pyridin-2-yl)-3-phenyl-N,N-di(propan-2-yl)propanamide
PubChem CID141002984
Molecular FormulaC21H30N2O
Molecular Weight326.48 g/mol
Exact Mass326.24
IUPAC Name3-(1-methyl-2H-pyridin-2-yl)-3-phenyl-N,N-di(propan-2-yl)propanamide
SMILESCC(C)N(C(=O)CC(c1ccccc1)C1C=CC=CN1C)C(C)C
InChIInChI=1S/C21H30N2O/c1-16(2)23(17(3)4)21(24)15-19(18-11-7-6-8-12-18)20-13-9-10-14-22(20)5/h6-14,16-17,19-20H,15H2,1-5H3
InChIKeyWVALLBLACUFBMG-UHFFFAOYSA-N
XLogP4.19
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-chloro-2-hydroxyphenyl)-3-phenyl-N,N-di(propan-2-yl)propanamide
CID 2958205
3-cyano-3-phenyl-N,N-di(propan-2-yl)propanamide;3-cyano-3-phenylpropanoic acid
CID 159488647
3-phenyl-N,N-di(propan-2-yl)-3-(2,2,4-trimethyl-6-oxo-1,3-dioxin-5-yl)propanamide
CID 11199637
2-chloro-N-(1-phenylethyl)-N-propan-2-ylacetamide
CID 117059844
3-oxo-3-[[(1S)-1-phenylethyl]-propan-2-ylamino]propanoic acid
CID 15546984
(2R)-2-phenyl-N,N-di(propan-2-yl)propanamide
CID 15064517
4-cyclopent-2-en-1-yl-4-phenylbutan-2-one
CID 24977181
N-cyclopropyl-N-(4-methylcyclohexyl)-3-phenylbutanamide
CID 55593817
3-carbazol-9-yl-N,N-di(propan-2-yl)propanamide
CID 66728941
1-[(3S)-3-phenylbutyl]azetidine-3-carboxylic acid
CID 129371946
1-[(3R)-3-phenylbutyl]azetidine-3-carboxylic acid
CID 129371947
N-methyl-N-phenyl-2-[(1S)-1-phenylethyl]sulfanylacetamide
CID 95899111

Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-2H-pyridin-2-yl)-3-phenyl-N,N-di(propan-2-yl)propanamide?
The IUPAC name of 3-(1-methyl-2H-pyridin-2-yl)-3-phenyl-N,N-di(propan-2-yl)propanamide (CID 141002984) is 3-(1-methyl-2H-pyridin-2-yl)-3-phenyl-N,N-di(propan-2-yl)propanamide.
What is the SMILES notation for 3-(1-methyl-2H-pyridin-2-yl)-3-phenyl-N,N-di(propan-2-yl)propanamide?
The canonical SMILES for 3-(1-methyl-2H-pyridin-2-yl)-3-phenyl-N,N-di(propan-2-yl)propanamide is CC(C)N(C(=O)CC(c1ccccc1)C1C=CC=CN1C)C(C)C.
What is the InChIKey of 3-(1-methyl-2H-pyridin-2-yl)-3-phenyl-N,N-di(propan-2-yl)propanamide?
The InChIKey is WVALLBLACUFBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O/c1-16(2)23(17(3)4)21(24)15-19(18-11-7-6-8-12-18)20-13-9-10-14-22(20)5/h6-14,16-17,19-20H,15H2,1-5H3.
What are the key properties of 3-(1-methyl-2H-pyridin-2-yl)-3-phenyl-N,N-di(propan-2-yl)propanamide?
3-(1-methyl-2H-pyridin-2-yl)-3-phenyl-N,N-di(propan-2-yl)propanamide has a molecular weight of 326.48 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-2H-pyridin-2-yl)-3-phenyl-N,N-di(propan-2-yl)propanamide is sourced from PubChem (CID 141002984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).