2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide

C14H20N2O3 — CID 133213482

IUPAC2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide
SMILESCNC(=O)C(C)N(Cc1ccc(OC)cc1)C(C)=O
InChIInChI=1S/C14H20N2O3/c1-10(14(18)15-3)16(11(2)17)9-12-5-7-13(19-4)8-6-12/h5-8,10H,9H2,1-4H3,(H,15,18)
InChIKeyVUZPWEOEJRXBBL-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.18
Rot. Bonds5

About 2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide

2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide (PubChem CID 133213482) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide
PubChem CID133213482
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide
SMILESCNC(=O)C(C)N(Cc1ccc(OC)cc1)C(C)=O
InChIInChI=1S/C14H20N2O3/c1-10(14(18)15-3)16(11(2)17)9-12-5-7-13(19-4)8-6-12/h5-8,10H,9H2,1-4H3,(H,15,18)
InChIKeyVUZPWEOEJRXBBL-UHFFFAOYSA-N
XLogP1.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(4-fluorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide
CID 132654013
2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 133212989
2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide
CID 132655175
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-[(2-chlorophenyl)methyl]propanamide
CID 133213224
2-[3-(3,4-dimethoxyphenyl)propanoyl-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide
CID 132664530
N-[(4-chlorophenyl)methyl]-4-(4-methoxyphenoxy)-N-[1-(methylamino)-1-oxopropan-2-yl]butanamide
CID 132665871
2-[3-benzylsulfanylpropanoyl-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide
CID 132661311
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(oxolan-2-ylmethyl)propanamide
CID 133213494
2-[(3,4-dichlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-methylpropanamide
CID 132663475
N-benzyl-4-(4-methoxyphenoxy)-N-[1-(methylamino)-1-oxopropan-2-yl]butanamide
CID 132657894
2-[[2-(4-ethyl-N-methylsulfonylanilino)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide
CID 132676199
2-[[2-(3,5-dimethyl-N-methylsulfonylanilino)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide
CID 132676189

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide?
The IUPAC name of 2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide (CID 133213482) is 2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide.
What is the SMILES notation for 2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide?
The canonical SMILES for 2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide is CNC(=O)C(C)N(Cc1ccc(OC)cc1)C(C)=O.
What is the InChIKey of 2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide?
The InChIKey is VUZPWEOEJRXBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10(14(18)15-3)16(11(2)17)9-12-5-7-13(19-4)8-6-12/h5-8,10H,9H2,1-4H3,(H,15,18).
What are the key properties of 2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide?
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide has a molecular weight of 264.32 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide is sourced from PubChem (CID 133213482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).