N-[4-[(4-acetamidophenyl)methyl]phenyl]-2-methylpropanamide

C19H22N2O2 — CID 130256848

IUPACN-[4-[(4-acetamidophenyl)methyl]phenyl]-2-methylpropanamide
SMILESCC(=O)Nc1ccc(Cc2ccc(NC(=O)C(C)C)cc2)cc1
InChIInChI=1S/C19H22N2O2/c1-13(2)19(23)21-18-10-6-16(7-11-18)12-15-4-8-17(9-5-15)20-14(3)22/h4-11,13H,12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyOAOSJRMJJWFJRG-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.83
Rot. Bonds5

About N-[4-[(4-acetamidophenyl)methyl]phenyl]-2-methylpropanamide

N-[4-[(4-acetamidophenyl)methyl]phenyl]-2-methylpropanamide (PubChem CID 130256848) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[4-[(4-acetamidophenyl)methyl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[(4-acetamidophenyl)methyl]phenyl]-2-methylpropanamide
PubChem CID130256848
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-[4-[(4-acetamidophenyl)methyl]phenyl]-2-methylpropanamide
SMILESCC(=O)Nc1ccc(Cc2ccc(NC(=O)C(C)C)cc2)cc1
InChIInChI=1S/C19H22N2O2/c1-13(2)19(23)21-18-10-6-16(7-11-18)12-15-4-8-17(9-5-15)20-14(3)22/h4-11,13H,12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyOAOSJRMJJWFJRG-UHFFFAOYSA-N
XLogP3.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl N-[4-[[4-(2-methylpropanoylamino)phenyl]methyl]phenyl]carbamate;molecular hydrogen
CID 144683165
[4-[[4-(2-methylpropanoylamino)phenyl]methyl]phenyl] cyanate
CID 166529266
2-methyl-N-(4-propylphenyl)propanamide
CID 58658667
N-[4-[(2-acetamidopropanoylamino)methyl]phenyl]-2-methylpropanamide
CID 42936966
2-ethyl-N-[4-[[4-(2-ethylbutanoylamino)phenyl]methyl]phenyl]butanamide
CID 2165509
(2S)-N-(4-acetamidophenyl)-2-methylbutanamide
CID 837961
N-[4-[(diaminomethylideneamino)methyl]phenyl]-2-methylpropanamide
CID 110914570
N-[4-(methanesulfonamidomethyl)phenyl]-2-methylpropanamide
CID 51331356
N-[4-(2-chloropropanoylamino)phenyl]-2-methylpropanamide
CID 43346560
3-chloro-2-methyl-N-[4-(2-methylpropanoylamino)phenyl]propanamide
CID 55111079
2-methyl-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]propanamide
CID 959378
2-(4-chlorophenoxy)-N-[4-[[4-[2-(4-chlorophenoxy)propanoylamino]phenyl]methyl]phenyl]propanamide
CID 4944300

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-acetamidophenyl)methyl]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[(4-acetamidophenyl)methyl]phenyl]-2-methylpropanamide (CID 130256848) is N-[4-[(4-acetamidophenyl)methyl]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[(4-acetamidophenyl)methyl]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[(4-acetamidophenyl)methyl]phenyl]-2-methylpropanamide is CC(=O)Nc1ccc(Cc2ccc(NC(=O)C(C)C)cc2)cc1.
What is the InChIKey of N-[4-[(4-acetamidophenyl)methyl]phenyl]-2-methylpropanamide?
The InChIKey is OAOSJRMJJWFJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-13(2)19(23)21-18-10-6-16(7-11-18)12-15-4-8-17(9-5-15)20-14(3)22/h4-11,13H,12H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N-[4-[(4-acetamidophenyl)methyl]phenyl]-2-methylpropanamide?
N-[4-[(4-acetamidophenyl)methyl]phenyl]-2-methylpropanamide has a molecular weight of 310.40 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-acetamidophenyl)methyl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 130256848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).