2-(3-acetamido-4-methylanilino)-N-(4-propylphenyl)acetamide

C20H25N3O2 — CID 60536220

IUPAC2-(3-acetamido-4-methylanilino)-N-(4-propylphenyl)acetamide
SMILESCCCc1ccc(NC(=O)CNc2ccc(C)c(NC(C)=O)c2)cc1
InChIInChI=1S/C20H25N3O2/c1-4-5-16-7-10-17(11-8-16)23-20(25)13-21-18-9-6-14(2)19(12-18)22-15(3)24/h6-12,21H,4-5,13H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyRLNJATWDKVBQKL-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.96
Rot. Bonds7

About 2-(3-acetamido-4-methylanilino)-N-(4-propylphenyl)acetamide

2-(3-acetamido-4-methylanilino)-N-(4-propylphenyl)acetamide (PubChem CID 60536220) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-(3-acetamido-4-methylanilino)-N-(4-propylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-acetamido-4-methylanilino)-N-(4-propylphenyl)acetamide
PubChem CID60536220
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name2-(3-acetamido-4-methylanilino)-N-(4-propylphenyl)acetamide
SMILESCCCc1ccc(NC(=O)CNc2ccc(C)c(NC(C)=O)c2)cc1
InChIInChI=1S/C20H25N3O2/c1-4-5-16-7-10-17(11-8-16)23-20(25)13-21-18-9-6-14(2)19(12-18)22-15(3)24/h6-12,21H,4-5,13H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyRLNJATWDKVBQKL-UHFFFAOYSA-N
XLogP3.96
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-2-(4-propylanilino)acetamide
CID 43215416
2-(3-acetamido-4-methylanilino)-N-(3-acetylphenyl)acetamide
CID 60536243
N-[5-[[2-(3-acetamidoanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54831751
N-[2-methyl-5-(2-phenylethylamino)phenyl]acetamide
CID 43735891
N-[5-(hexylamino)-2-methylphenyl]acetamide
CID 43735857
N-[5-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]acetamide
CID 110006528
2-(2-chloroanilino)-N-(4-propylphenyl)acetamide
CID 30535151
2-amino-N-(4-propylphenyl)acetamide
CID 43216495
N-[2-methyl-5-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]phenyl]propanamide
CID 54844965
N-propyl-2-(4-propylanilino)acetamide
CID 43216175
N-butyl-4-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54844769
N-[5-[(3-fluoro-4-methylphenyl)methylamino]-2-methylphenyl]acetamide
CID 63645883

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamido-4-methylanilino)-N-(4-propylphenyl)acetamide?
The IUPAC name of 2-(3-acetamido-4-methylanilino)-N-(4-propylphenyl)acetamide (CID 60536220) is 2-(3-acetamido-4-methylanilino)-N-(4-propylphenyl)acetamide.
What is the SMILES notation for 2-(3-acetamido-4-methylanilino)-N-(4-propylphenyl)acetamide?
The canonical SMILES for 2-(3-acetamido-4-methylanilino)-N-(4-propylphenyl)acetamide is CCCc1ccc(NC(=O)CNc2ccc(C)c(NC(C)=O)c2)cc1.
What is the InChIKey of 2-(3-acetamido-4-methylanilino)-N-(4-propylphenyl)acetamide?
The InChIKey is RLNJATWDKVBQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-4-5-16-7-10-17(11-8-16)23-20(25)13-21-18-9-6-14(2)19(12-18)22-15(3)24/h6-12,21H,4-5,13H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 2-(3-acetamido-4-methylanilino)-N-(4-propylphenyl)acetamide?
2-(3-acetamido-4-methylanilino)-N-(4-propylphenyl)acetamide has a molecular weight of 339.44 g/mol, XLogP of 3.96, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamido-4-methylanilino)-N-(4-propylphenyl)acetamide is sourced from PubChem (CID 60536220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).