3-acetamido-N-methyl-3-(4-methylphenyl)-N-(2-methylpropyl)propanamide

C17H26N2O2 — CID 134058928

IUPAC3-acetamido-N-methyl-3-(4-methylphenyl)-N-(2-methylpropyl)propanamide
SMILESCC(=O)NC(CC(=O)N(C)CC(C)C)c1ccc(C)cc1
InChIInChI=1S/C17H26N2O2/c1-12(2)11-19(5)17(21)10-16(18-14(4)20)15-8-6-13(3)7-9-15/h6-9,12,16H,10-11H2,1-5H3,(H,18,20)
InChIKeyATMJHVFZQYFZAQ-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.68
Rot. Bonds6

About 3-acetamido-N-methyl-3-(4-methylphenyl)-N-(2-methylpropyl)propanamide

3-acetamido-N-methyl-3-(4-methylphenyl)-N-(2-methylpropyl)propanamide (PubChem CID 134058928) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-acetamido-N-methyl-3-(4-methylphenyl)-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-acetamido-N-methyl-3-(4-methylphenyl)-N-(2-methylpropyl)propanamide
PubChem CID134058928
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-acetamido-N-methyl-3-(4-methylphenyl)-N-(2-methylpropyl)propanamide
SMILESCC(=O)NC(CC(=O)N(C)CC(C)C)c1ccc(C)cc1
InChIInChI=1S/C17H26N2O2/c1-12(2)11-19(5)17(21)10-16(18-14(4)20)15-8-6-13(3)7-9-15/h6-9,12,16H,10-11H2,1-5H3,(H,18,20)
InChIKeyATMJHVFZQYFZAQ-UHFFFAOYSA-N
XLogP2.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-acetamido-3-(4-methylphenyl)propanoic acid
CID 25323198
(3S)-3-acetamido-N-methyl-3-(4-methylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]propanamide
CID 95585277
3-acetamido-3-(4-methoxyphenyl)-N-methyl-N-[1-(4-methylphenyl)ethyl]propanamide
CID 134054363
3-acetamido-N-methyl-3-(4-methylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 86852367
(2S)-2-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]propanoic acid
CID 119238260
3-acetamido-3-(4-methylphenyl)-N,N-bis(prop-2-enyl)propanamide
CID 75854684
propan-2-yl 3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-3-(4-methylphenyl)propanoate
CID 46690699
2-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-4-methylpentanoic acid
CID 119188374
3-acetamido-N-[2-(2-chlorophenoxy)ethyl]-N-methyl-3-(4-methylphenyl)propanamide
CID 46528889
3-acetamido-N-(3-aminobutyl)-3-(4-methylphenyl)propanamide
CID 119498760
3-acetamido-N-[2-(ethylamino)ethyl]-3-(4-methylphenyl)propanamide
CID 119508593
(3R)-3-acetamido-N-[(1R)-1-cyclopropylethyl]-3-(4-methylphenyl)propanamide
CID 30796495

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-methyl-3-(4-methylphenyl)-N-(2-methylpropyl)propanamide?
The IUPAC name of 3-acetamido-N-methyl-3-(4-methylphenyl)-N-(2-methylpropyl)propanamide (CID 134058928) is 3-acetamido-N-methyl-3-(4-methylphenyl)-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 3-acetamido-N-methyl-3-(4-methylphenyl)-N-(2-methylpropyl)propanamide?
The canonical SMILES for 3-acetamido-N-methyl-3-(4-methylphenyl)-N-(2-methylpropyl)propanamide is CC(=O)NC(CC(=O)N(C)CC(C)C)c1ccc(C)cc1.
What is the InChIKey of 3-acetamido-N-methyl-3-(4-methylphenyl)-N-(2-methylpropyl)propanamide?
The InChIKey is ATMJHVFZQYFZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12(2)11-19(5)17(21)10-16(18-14(4)20)15-8-6-13(3)7-9-15/h6-9,12,16H,10-11H2,1-5H3,(H,18,20).
What are the key properties of 3-acetamido-N-methyl-3-(4-methylphenyl)-N-(2-methylpropyl)propanamide?
3-acetamido-N-methyl-3-(4-methylphenyl)-N-(2-methylpropyl)propanamide has a molecular weight of 290.41 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-methyl-3-(4-methylphenyl)-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 134058928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).