3-[acetyl(tert-butyl)amino]-N-(2-methylphenyl)propanamide

C16H24N2O2 — CID 113122509

IUPAC3-[acetyl(tert-butyl)amino]-N-(2-methylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccccc1C)C(C)(C)C
InChIInChI=1S/C16H24N2O2/c1-12-8-6-7-9-14(12)17-15(20)10-11-18(13(2)19)16(3,4)5/h6-9H,10-11H2,1-5H3,(H,17,20)
InChIKeyHJDZOYGIFJQWBN-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.97
Rot. Bonds4

About 3-[acetyl(tert-butyl)amino]-N-(2-methylphenyl)propanamide

3-[acetyl(tert-butyl)amino]-N-(2-methylphenyl)propanamide (PubChem CID 113122509) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-[acetyl(tert-butyl)amino]-N-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(tert-butyl)amino]-N-(2-methylphenyl)propanamide
PubChem CID113122509
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-[acetyl(tert-butyl)amino]-N-(2-methylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccccc1C)C(C)(C)C
InChIInChI=1S/C16H24N2O2/c1-12-8-6-7-9-14(12)17-15(20)10-11-18(13(2)19)16(3,4)5/h6-9H,10-11H2,1-5H3,(H,17,20)
InChIKeyHJDZOYGIFJQWBN-UHFFFAOYSA-N
XLogP2.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl(tert-butyl)amino]-N-(2-methylphenyl)acetamide
CID 113166145
3-[acetyl(tert-butyl)amino]-N-(2-chlorophenyl)propanamide
CID 113122534
3-[acetyl(tert-butyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113122550
3-(dimethylamino)-N-(2-methylphenyl)propanamide
CID 89469008
3-(N-acetyl-2-methylanilino)-N-(2-methylphenyl)propanamide
CID 113123619
3-[acetyl(propyl)amino]-N-(2-methylphenyl)propanamide
CID 113115004
3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2-methylphenyl)propanamide
CID 113117534
3-[acetyl(tert-butyl)amino]-N-(2,4,6-trimethylphenyl)propanamide
CID 113122527
3-[acetyl(tert-butyl)amino]-N-(3-methylphenyl)propanamide
CID 113122510
3-(N-acetyl-3,5-dimethylanilino)-N-(2-methylphenyl)propanamide
CID 113124717
3-[N-acetyl-4-(diethylamino)anilino]-N-(2-methylphenyl)propanamide
CID 113131881
3-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(2-methylphenyl)propanamide
CID 113121646

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(tert-butyl)amino]-N-(2-methylphenyl)propanamide?
The IUPAC name of 3-[acetyl(tert-butyl)amino]-N-(2-methylphenyl)propanamide (CID 113122509) is 3-[acetyl(tert-butyl)amino]-N-(2-methylphenyl)propanamide.
What is the SMILES notation for 3-[acetyl(tert-butyl)amino]-N-(2-methylphenyl)propanamide?
The canonical SMILES for 3-[acetyl(tert-butyl)amino]-N-(2-methylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccccc1C)C(C)(C)C.
What is the InChIKey of 3-[acetyl(tert-butyl)amino]-N-(2-methylphenyl)propanamide?
The InChIKey is HJDZOYGIFJQWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-8-6-7-9-14(12)17-15(20)10-11-18(13(2)19)16(3,4)5/h6-9H,10-11H2,1-5H3,(H,17,20).
What are the key properties of 3-[acetyl(tert-butyl)amino]-N-(2-methylphenyl)propanamide?
3-[acetyl(tert-butyl)amino]-N-(2-methylphenyl)propanamide has a molecular weight of 276.38 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(tert-butyl)amino]-N-(2-methylphenyl)propanamide is sourced from PubChem (CID 113122509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).