2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-[(2-methylphenyl)methyl]acetamide

C16H25N3O2 — CID 113160407

IUPAC2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-[(2-methylphenyl)methyl]acetamide
SMILESCC(=O)N(CCN(C)C)CC(=O)NCc1ccccc1C
InChIInChI=1S/C16H25N3O2/c1-13-7-5-6-8-15(13)11-17-16(21)12-19(14(2)20)10-9-18(3)4/h5-8H,9-12H2,1-4H3,(H,17,21)
InChIKeyWDVFCYRLKFKMEW-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.02
Rot. Bonds7

About 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-[(2-methylphenyl)methyl]acetamide

2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-[(2-methylphenyl)methyl]acetamide (PubChem CID 113160407) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-[(2-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-[(2-methylphenyl)methyl]acetamide
PubChem CID113160407
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-[(2-methylphenyl)methyl]acetamide
SMILESCC(=O)N(CCN(C)C)CC(=O)NCc1ccccc1C
InChIInChI=1S/C16H25N3O2/c1-13-7-5-6-8-15(13)11-17-16(21)12-19(14(2)20)10-9-18(3)4/h5-8H,9-12H2,1-4H3,(H,17,21)
InChIKeyWDVFCYRLKFKMEW-UHFFFAOYSA-N
XLogP1.02
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[acetyl(benzyl)amino]-N-[(2-methylphenyl)methyl]acetamide
CID 113161182
3-(N-acetyl-2,6-dimethylanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 113124832
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(pyridin-3-ylmethyl)acetamide
CID 113160421
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-phenylacetamide
CID 113160473
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113118385
N-[(2-methylphenyl)methyl]-2-[(2-methylphenyl)methylamino]acetamide
CID 108996489
2-[methyl-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid;hydrochloride
CID 119913207
2-[cyclohexyl(methyl)amino]-N-[(2-methylphenyl)methyl]acetamide
CID 51224648
2-(N,4-diacetylanilino)-N-[(2-methylphenyl)methyl]acetamide
CID 113175570
N-ethyl-2-[ethyl-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]amino]acetamide
CID 40700700
3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2-methylphenyl)methyl]propanamide
CID 113119260
2-chloro-N-[(2-methylphenyl)methyl]acetamide
CID 9291148

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-[(2-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-[(2-methylphenyl)methyl]acetamide (CID 113160407) is 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-[(2-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-[(2-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-[(2-methylphenyl)methyl]acetamide is CC(=O)N(CCN(C)C)CC(=O)NCc1ccccc1C.
What is the InChIKey of 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-[(2-methylphenyl)methyl]acetamide?
The InChIKey is WDVFCYRLKFKMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-13-7-5-6-8-15(13)11-17-16(21)12-19(14(2)20)10-9-18(3)4/h5-8H,9-12H2,1-4H3,(H,17,21).
What are the key properties of 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-[(2-methylphenyl)methyl]acetamide?
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-[(2-methylphenyl)methyl]acetamide has a molecular weight of 291.39 g/mol, XLogP of 1.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-[(2-methylphenyl)methyl]acetamide is sourced from PubChem (CID 113160407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).