N-[4-[acetyl(methyl)amino]phenyl]-2-[3-(2-methylpropoxy)anilino]acetamide

C21H27N3O3 — CID 54823757

IUPACN-[4-[acetyl(methyl)amino]phenyl]-2-[3-(2-methylpropoxy)anilino]acetamide
SMILESCC(=O)N(C)c1ccc(NC(=O)CNc2cccc(OCC(C)C)c2)cc1
InChIInChI=1S/C21H27N3O3/c1-15(2)14-27-20-7-5-6-18(12-20)22-13-21(26)23-17-8-10-19(11-9-17)24(4)16(3)25/h5-12,15,22H,13-14H2,1-4H3,(H,23,26)
InChIKeyLDBKIEWBEZGJHT-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.75
Rot. Bonds8

About N-[4-[acetyl(methyl)amino]phenyl]-2-[3-(2-methylpropoxy)anilino]acetamide

N-[4-[acetyl(methyl)amino]phenyl]-2-[3-(2-methylpropoxy)anilino]acetamide (PubChem CID 54823757) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[4-[acetyl(methyl)amino]phenyl]-2-[3-(2-methylpropoxy)anilino]acetamide.

Molecular Properties

Compound NameN-[4-[acetyl(methyl)amino]phenyl]-2-[3-(2-methylpropoxy)anilino]acetamide
PubChem CID54823757
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-[4-[acetyl(methyl)amino]phenyl]-2-[3-(2-methylpropoxy)anilino]acetamide
SMILESCC(=O)N(C)c1ccc(NC(=O)CNc2cccc(OCC(C)C)c2)cc1
InChIInChI=1S/C21H27N3O3/c1-15(2)14-27-20-7-5-6-18(12-20)22-13-21(26)23-17-8-10-19(11-9-17)24(4)16(3)25/h5-12,15,22H,13-14H2,1-4H3,(H,23,26)
InChIKeyLDBKIEWBEZGJHT-UHFFFAOYSA-N
XLogP3.75
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-acetamidoanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54831499
2-(3-ethoxyanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54826384
2-(3-acetamidoanilino)-N-[4-[acetyl(methyl)amino]phenyl]acetamide
CID 54831552
2-anilino-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54810289
2-(3-butoxyanilino)-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 54824959
2-methyl-N-[4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide
CID 54830634
2-(3-heptoxyanilino)-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 54829257
3-[[2-[3-(2-methylpropoxy)anilino]acetyl]amino]benzamide
CID 54823168
2-(3-chloro-4-fluoroanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54819041
2-[4-[acetyl(methyl)amino]anilino]-N-(4-ethoxyphenyl)acetamide
CID 54810999
N-[2-methyl-3-[[2-[3-(2-methylpropoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54823522
N-(2-methoxyphenyl)-2-[3-(2-methylpropoxy)anilino]acetamide
CID 54823826

Frequently Asked Questions

What is the IUPAC name of N-[4-[acetyl(methyl)amino]phenyl]-2-[3-(2-methylpropoxy)anilino]acetamide?
The IUPAC name of N-[4-[acetyl(methyl)amino]phenyl]-2-[3-(2-methylpropoxy)anilino]acetamide (CID 54823757) is N-[4-[acetyl(methyl)amino]phenyl]-2-[3-(2-methylpropoxy)anilino]acetamide.
What is the SMILES notation for N-[4-[acetyl(methyl)amino]phenyl]-2-[3-(2-methylpropoxy)anilino]acetamide?
The canonical SMILES for N-[4-[acetyl(methyl)amino]phenyl]-2-[3-(2-methylpropoxy)anilino]acetamide is CC(=O)N(C)c1ccc(NC(=O)CNc2cccc(OCC(C)C)c2)cc1.
What is the InChIKey of N-[4-[acetyl(methyl)amino]phenyl]-2-[3-(2-methylpropoxy)anilino]acetamide?
The InChIKey is LDBKIEWBEZGJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-15(2)14-27-20-7-5-6-18(12-20)22-13-21(26)23-17-8-10-19(11-9-17)24(4)16(3)25/h5-12,15,22H,13-14H2,1-4H3,(H,23,26).
What are the key properties of N-[4-[acetyl(methyl)amino]phenyl]-2-[3-(2-methylpropoxy)anilino]acetamide?
N-[4-[acetyl(methyl)amino]phenyl]-2-[3-(2-methylpropoxy)anilino]acetamide has a molecular weight of 369.47 g/mol, XLogP of 3.75, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[acetyl(methyl)amino]phenyl]-2-[3-(2-methylpropoxy)anilino]acetamide is sourced from PubChem (CID 54823757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).