2-[acetyl-[(3-methylphenyl)methyl]amino]-N-propan-2-ylacetamide

C15H22N2O2 — CID 113161549

IUPAC2-[acetyl-[(3-methylphenyl)methyl]amino]-N-propan-2-ylacetamide
SMILESCC(=O)N(CC(=O)NC(C)C)Cc1cccc(C)c1
InChIInChI=1S/C15H22N2O2/c1-11(2)16-15(19)10-17(13(4)18)9-14-7-5-6-12(3)8-14/h5-8,11H,9-10H2,1-4H3,(H,16,19)
InChIKeyLDHKHMBNDRTMCJ-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.87
Rot. Bonds5

About 2-[acetyl-[(3-methylphenyl)methyl]amino]-N-propan-2-ylacetamide

2-[acetyl-[(3-methylphenyl)methyl]amino]-N-propan-2-ylacetamide (PubChem CID 113161549) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-[acetyl-[(3-methylphenyl)methyl]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[acetyl-[(3-methylphenyl)methyl]amino]-N-propan-2-ylacetamide
PubChem CID113161549
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-[acetyl-[(3-methylphenyl)methyl]amino]-N-propan-2-ylacetamide
SMILESCC(=O)N(CC(=O)NC(C)C)Cc1cccc(C)c1
InChIInChI=1S/C15H22N2O2/c1-11(2)16-15(19)10-17(13(4)18)9-14-7-5-6-12(3)8-14/h5-8,11H,9-10H2,1-4H3,(H,16,19)
InChIKeyLDHKHMBNDRTMCJ-UHFFFAOYSA-N
XLogP1.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl(pyridin-4-ylmethyl)amino]-N-propan-2-ylacetamide
CID 113163745
2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-propan-2-ylacetamide
CID 113162680
2-[acetyl-[(3-methylphenyl)methyl]amino]-N-(3-chloro-2-methylphenyl)acetamide
CID 113161666
2-[acetyl-[(3-methylphenyl)methyl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 113161689
2-[acetyl-[(3-methylphenyl)methyl]amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
CID 113161585
3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(3-methylphenyl)propanamide
CID 113118627
2-[2-(3-methylphenyl)ethylamino]-N-propan-2-ylacetamide
CID 62314829
2-[acetyl-[(3-methylphenyl)methyl]amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 113161698
N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-2-ethylbutanamide
CID 113054219
2-[(3-hydroxyphenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 79673031
3-[acetyl-[(3-methylphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide
CID 113118570
2-[methyl-[2-(3-methylphenyl)-2-oxoethyl]amino]-N-propan-2-ylacetamide
CID 62036179

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[(3-methylphenyl)methyl]amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[acetyl-[(3-methylphenyl)methyl]amino]-N-propan-2-ylacetamide (CID 113161549) is 2-[acetyl-[(3-methylphenyl)methyl]amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[acetyl-[(3-methylphenyl)methyl]amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[acetyl-[(3-methylphenyl)methyl]amino]-N-propan-2-ylacetamide is CC(=O)N(CC(=O)NC(C)C)Cc1cccc(C)c1.
What is the InChIKey of 2-[acetyl-[(3-methylphenyl)methyl]amino]-N-propan-2-ylacetamide?
The InChIKey is LDHKHMBNDRTMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11(2)16-15(19)10-17(13(4)18)9-14-7-5-6-12(3)8-14/h5-8,11H,9-10H2,1-4H3,(H,16,19).
What are the key properties of 2-[acetyl-[(3-methylphenyl)methyl]amino]-N-propan-2-ylacetamide?
2-[acetyl-[(3-methylphenyl)methyl]amino]-N-propan-2-ylacetamide has a molecular weight of 262.35 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[(3-methylphenyl)methyl]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 113161549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).