2-(4-acetamidoanilino)-N-[(3-methylphenyl)methyl]acetamide

C18H21N3O2 — CID 108996973

IUPAC2-(4-acetamidoanilino)-N-[(3-methylphenyl)methyl]acetamide
SMILESCC(=O)Nc1ccc(NCC(=O)NCc2cccc(C)c2)cc1
InChIInChI=1S/C18H21N3O2/c1-13-4-3-5-15(10-13)11-20-18(23)12-19-16-6-8-17(9-7-16)21-14(2)22/h3-10,19H,11-12H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyGEVWCVHGYGTSNQ-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.68
Rot. Bonds6

About 2-(4-acetamidoanilino)-N-[(3-methylphenyl)methyl]acetamide

2-(4-acetamidoanilino)-N-[(3-methylphenyl)methyl]acetamide (PubChem CID 108996973) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-(4-acetamidoanilino)-N-[(3-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-acetamidoanilino)-N-[(3-methylphenyl)methyl]acetamide
PubChem CID108996973
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name2-(4-acetamidoanilino)-N-[(3-methylphenyl)methyl]acetamide
SMILESCC(=O)Nc1ccc(NCC(=O)NCc2cccc(C)c2)cc1
InChIInChI=1S/C18H21N3O2/c1-13-4-3-5-15(10-13)11-20-18(23)12-19-16-6-8-17(9-7-16)21-14(2)22/h3-10,19H,11-12H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyGEVWCVHGYGTSNQ-UHFFFAOYSA-N
XLogP2.68
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[2-[(3-methylphenyl)methylamino]-2-oxoethyl]amino]benzoate
CID 108996975
N-[(3-methylphenyl)methyl]-2-[4-(trifluoromethyl)anilino]acetamide
CID 108996969
N-[4-[(3-methylphenyl)methylcarbamoylamino]phenyl]acetamide
CID 108898073
2-(3,4-difluoroanilino)-N-[(3-methylphenyl)methyl]acetamide
CID 108997018
N-[(3-methylphenyl)methyl]-2-(phenylcarbamoylamino)acetamide
CID 38294266
2-(methylamino)-N-[(3-methylphenyl)methyl]acetamide
CID 60913954
N-[(3-methylphenyl)methyl]-2-(2,4,6-trimethylanilino)acetamide
CID 108996939
3-(4-methylanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 37430844
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[(3-methylphenyl)methyl]acetamide
CID 34165656
N'-(4-methylphenyl)-N-[(3-methylphenyl)methyl]oxamide
CID 86919833
[4-[(3-methylphenyl)methylamino]phenyl]urea
CID 43744878
2-(2-ethyl-6-methylanilino)-N-[(3-methylphenyl)methyl]acetamide
CID 108996936

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidoanilino)-N-[(3-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(4-acetamidoanilino)-N-[(3-methylphenyl)methyl]acetamide (CID 108996973) is 2-(4-acetamidoanilino)-N-[(3-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-acetamidoanilino)-N-[(3-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-acetamidoanilino)-N-[(3-methylphenyl)methyl]acetamide is CC(=O)Nc1ccc(NCC(=O)NCc2cccc(C)c2)cc1.
What is the InChIKey of 2-(4-acetamidoanilino)-N-[(3-methylphenyl)methyl]acetamide?
The InChIKey is GEVWCVHGYGTSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13-4-3-5-15(10-13)11-20-18(23)12-19-16-6-8-17(9-7-16)21-14(2)22/h3-10,19H,11-12H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 2-(4-acetamidoanilino)-N-[(3-methylphenyl)methyl]acetamide?
2-(4-acetamidoanilino)-N-[(3-methylphenyl)methyl]acetamide has a molecular weight of 311.39 g/mol, XLogP of 2.68, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidoanilino)-N-[(3-methylphenyl)methyl]acetamide is sourced from PubChem (CID 108996973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).