3-acetamido-3-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)propanamide

C26H29N3O2 — CID 55983104

IUPAC3-acetamido-3-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)propanamide
SMILESCC(=O)NC(CC(=O)N(Cc1cccnc1)Cc1ccccc1C)c1ccc(C)cc1
InChIInChI=1S/C26H29N3O2/c1-19-10-12-23(13-11-19)25(28-21(3)30)15-26(31)29(17-22-8-6-14-27-16-22)18-24-9-5-4-7-20(24)2/h4-14,16,25H,15,17-18H2,1-3H3,(H,28,30)
InChIKeyNKRCCZOHKPCGIZ-UHFFFAOYSA-N
MW415.54 g/mol
LogP4.49
Rot. Bonds8

About 3-acetamido-3-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)propanamide

3-acetamido-3-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 55983104) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is 3-acetamido-3-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-acetamido-3-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)propanamide
PubChem CID55983104
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC Name3-acetamido-3-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)propanamide
SMILESCC(=O)NC(CC(=O)N(Cc1cccnc1)Cc1ccccc1C)c1ccc(C)cc1
InChIInChI=1S/C26H29N3O2/c1-19-10-12-23(13-11-19)25(28-21(3)30)15-26(31)29(17-22-8-6-14-27-16-22)18-24-9-5-4-7-20(24)2/h4-14,16,25H,15,17-18H2,1-3H3,(H,28,30)
InChIKeyNKRCCZOHKPCGIZ-UHFFFAOYSA-N
XLogP4.49
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methylphenyl)methyl]-3-pyridin-3-yl-1-(pyridin-3-ylmethyl)urea
CID 47075709
3-[(2R)-1-methoxypropan-2-yl]-1-[(2-methylphenyl)methyl]-1-(pyridin-3-ylmethyl)urea
CID 95278483
3-[cyclopropyl-(4-fluorophenyl)methyl]-1-[(2-methylphenyl)methyl]-1-(pyridin-3-ylmethyl)urea
CID 86900844
3-cyclopropyl-1-[(2-methylphenyl)methyl]-1-(pyridin-3-ylmethyl)urea
CID 47848242
3-acetamido-N-benzyl-N-butan-2-yl-3-(4-methylphenyl)propanamide
CID 43039918
N-[(2-methylphenyl)methyl]-2-naphthalen-2-yloxy-N-(pyridin-3-ylmethyl)acetamide
CID 52725225
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)propanamide
CID 55982460
3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)propanamide
CID 55982842
4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 55982328
3-acetamido-3-(4-methylphenyl)-N,N-bis(prop-2-enyl)propanamide
CID 75854684
N-[(2-methylphenyl)methyl]-3-(2-nitroanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 55983106
N-[(2-methylphenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 55983609

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-acetamido-3-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)propanamide (CID 55983104) is 3-acetamido-3-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-acetamido-3-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-acetamido-3-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)propanamide is CC(=O)NC(CC(=O)N(Cc1cccnc1)Cc1ccccc1C)c1ccc(C)cc1.
What is the InChIKey of 3-acetamido-3-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is NKRCCZOHKPCGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-19-10-12-23(13-11-19)25(28-21(3)30)15-26(31)29(17-22-8-6-14-27-16-22)18-24-9-5-4-7-20(24)2/h4-14,16,25H,15,17-18H2,1-3H3,(H,28,30).
What are the key properties of 3-acetamido-3-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)propanamide?
3-acetamido-3-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 415.54 g/mol, XLogP of 4.49, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 55983104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).