2-(3-acetamidoanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide

C20H25N3O3 — CID 54831499

IUPAC2-(3-acetamidoanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide
SMILESCC(=O)Nc1cccc(NCC(=O)Nc2cccc(OCC(C)C)c2)c1
InChIInChI=1S/C20H25N3O3/c1-14(2)13-26-19-9-5-8-18(11-19)23-20(25)12-21-16-6-4-7-17(10-16)22-15(3)24/h4-11,14,21H,12-13H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyOVHDHGCZBIECPS-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.73
Rot. Bonds8

About 2-(3-acetamidoanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide

2-(3-acetamidoanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide (PubChem CID 54831499) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-(3-acetamidoanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-acetamidoanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide
PubChem CID54831499
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name2-(3-acetamidoanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide
SMILESCC(=O)Nc1cccc(NCC(=O)Nc2cccc(OCC(C)C)c2)c1
InChIInChI=1S/C20H25N3O3/c1-14(2)13-26-19-9-5-8-18(11-19)23-20(25)12-21-16-6-4-7-17(10-16)22-15(3)24/h4-11,14,21H,12-13H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyOVHDHGCZBIECPS-UHFFFAOYSA-N
XLogP3.73
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-ethoxyanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54826384
2-anilino-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54810289
N-[3-(2-methylpropoxy)phenyl]acetamide
CID 23343374
3-[[2-[3-(2-methylpropoxy)anilino]acetyl]amino]benzamide
CID 54823168
2-methyl-N-[4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide
CID 54830634
2-(3-chloro-4-fluoroanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54819041
N-[4-[acetyl(methyl)amino]phenyl]-2-[3-(2-methylpropoxy)anilino]acetamide
CID 54823757
2-(3-butoxyanilino)-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 54824959
3-[[2-[3-(2-methylpropoxy)anilino]acetyl]amino]-N-propylbenzamide
CID 54823369
2-(2-bromoanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54816652
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 2-(3-acetamidoanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide?
The IUPAC name of 2-(3-acetamidoanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide (CID 54831499) is 2-(3-acetamidoanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide.
What is the SMILES notation for 2-(3-acetamidoanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide?
The canonical SMILES for 2-(3-acetamidoanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide is CC(=O)Nc1cccc(NCC(=O)Nc2cccc(OCC(C)C)c2)c1.
What is the InChIKey of 2-(3-acetamidoanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide?
The InChIKey is OVHDHGCZBIECPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-14(2)13-26-19-9-5-8-18(11-19)23-20(25)12-21-16-6-4-7-17(10-16)22-15(3)24/h4-11,14,21H,12-13H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 2-(3-acetamidoanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide?
2-(3-acetamidoanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide has a molecular weight of 355.44 g/mol, XLogP of 3.73, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamidoanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide is sourced from PubChem (CID 54831499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).