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

C16H24N2O2 — CID 113122510

IUPAC3-[acetyl(tert-butyl)amino]-N-(3-methylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1cccc(C)c1)C(C)(C)C
InChIInChI=1S/C16H24N2O2/c1-12-7-6-8-14(11-12)17-15(20)9-10-18(13(2)19)16(3,4)5/h6-8,11H,9-10H2,1-5H3,(H,17,20)
InChIKeyDAPGLUHEEOCMNZ-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.97
Rot. Bonds4

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

3-[acetyl(tert-butyl)amino]-N-(3-methylphenyl)propanamide (PubChem CID 113122510) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-[acetyl(tert-butyl)amino]-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(tert-butyl)amino]-N-(3-methylphenyl)propanamide
PubChem CID113122510
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-[acetyl(tert-butyl)amino]-N-(3-methylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1cccc(C)c1)C(C)(C)C
InChIInChI=1S/C16H24N2O2/c1-12-7-6-8-14(11-12)17-15(20)9-10-18(13(2)19)16(3,4)5/h6-8,11H,9-10H2,1-5H3,(H,17,20)
InChIKeyDAPGLUHEEOCMNZ-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

3-[acetyl(tert-butyl)amino]-N-(3-methoxyphenyl)propanamide
CID 113122548
3-[acetyl(cycloheptyl)amino]-N-(3-methylphenyl)propanamide
CID 113122702
N-(3-acetamidophenyl)-2-[acetyl(tert-butyl)amino]acetamide
CID 113166199
3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(3-methylphenyl)propanamide
CID 113118627
3-[acetyl(tert-butyl)amino]-N-(2,4,6-trimethylphenyl)propanamide
CID 113122527
3-[acetyl(pentyl)amino]-N-(3-methylphenyl)propanamide
CID 113123078
3-[acetyl(2-phenylethyl)amino]-N-(3-methylphenyl)propanamide
CID 113120810
3-(N-acetyl-2-fluoroanilino)-N-(3-methylphenyl)propanamide
CID 113126717
3-[acetyl(tert-butyl)amino]-N-(3-chloro-4-methoxyphenyl)propanamide
CID 113122543
3-[cyclopropyl(methylsulfonyl)amino]-N-(3-methylphenyl)propanamide
CID 113136334
3-acetamido-N-(3-methylphenyl)propanamide
CID 47097671
4-hydroxy-N-(3-methylphenyl)butanamide
CID 11367548

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(tert-butyl)amino]-N-(3-methylphenyl)propanamide?
The IUPAC name of 3-[acetyl(tert-butyl)amino]-N-(3-methylphenyl)propanamide (CID 113122510) is 3-[acetyl(tert-butyl)amino]-N-(3-methylphenyl)propanamide.
What is the SMILES notation for 3-[acetyl(tert-butyl)amino]-N-(3-methylphenyl)propanamide?
The canonical SMILES for 3-[acetyl(tert-butyl)amino]-N-(3-methylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1cccc(C)c1)C(C)(C)C.
What is the InChIKey of 3-[acetyl(tert-butyl)amino]-N-(3-methylphenyl)propanamide?
The InChIKey is DAPGLUHEEOCMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-7-6-8-14(11-12)17-15(20)9-10-18(13(2)19)16(3,4)5/h6-8,11H,9-10H2,1-5H3,(H,17,20).
What are the key properties of 3-[acetyl(tert-butyl)amino]-N-(3-methylphenyl)propanamide?
3-[acetyl(tert-butyl)amino]-N-(3-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-(3-methylphenyl)propanamide is sourced from PubChem (CID 113122510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).