N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(oxolan-2-ylmethylamino)acetamide

C17H25N3O3 — CID 119677925

IUPACN-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(oxolan-2-ylmethylamino)acetamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)CNCC2CCCO2)cc1
InChIInChI=1S/C17H25N3O3/c1-13-5-7-14(8-6-13)19-16(21)12-20(2)17(22)11-18-10-15-4-3-9-23-15/h5-8,15,18H,3-4,9-12H2,1-2H3,(H,19,21)
InChIKeyNHFXDNOZERLPLC-UHFFFAOYSA-N
MW319.40 g/mol
LogP1.16
Rot. Bonds7

About N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(oxolan-2-ylmethylamino)acetamide

N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(oxolan-2-ylmethylamino)acetamide (PubChem CID 119677925) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(oxolan-2-ylmethylamino)acetamide.

Molecular Properties

Compound NameN-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(oxolan-2-ylmethylamino)acetamide
PubChem CID119677925
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC NameN-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(oxolan-2-ylmethylamino)acetamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)CNCC2CCCO2)cc1
InChIInChI=1S/C17H25N3O3/c1-13-5-7-14(8-6-13)19-16(21)12-20(2)17(22)11-18-10-15-4-3-9-23-15/h5-8,15,18H,3-4,9-12H2,1-2H3,(H,19,21)
InChIKeyNHFXDNOZERLPLC-UHFFFAOYSA-N
XLogP1.16
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-2-(oxolan-2-ylmethylamino)acetamide
CID 119682918
N-(4-methylphenyl)-2-(oxan-2-ylmethylamino)acetamide
CID 55014055
N-(4-acetamidophenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 54815392
N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-2-(oxolan-2-ylmethylamino)acetamide
CID 119691955
N'-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide
CID 108943682
N-methyl-4-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzamide
CID 54815292
N-(4-iodophenyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119672668
N-(4-methylsulfanylphenyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119694259
2-[methyl-[2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetyl]amino]-N-(4-methylphenyl)acetamide
CID 9055447
N-methyl-N-[(2-methylphenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119681688
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 108994306
N-(4-methylphenyl)-2-[4-[[[(2S)-oxolan-2-yl]methylamino]methyl]phenoxy]acetamide
CID 51991134

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(oxolan-2-ylmethylamino)acetamide?
The IUPAC name of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(oxolan-2-ylmethylamino)acetamide (CID 119677925) is N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(oxolan-2-ylmethylamino)acetamide.
What is the SMILES notation for N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(oxolan-2-ylmethylamino)acetamide?
The canonical SMILES for N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(oxolan-2-ylmethylamino)acetamide is Cc1ccc(NC(=O)CN(C)C(=O)CNCC2CCCO2)cc1.
What is the InChIKey of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(oxolan-2-ylmethylamino)acetamide?
The InChIKey is NHFXDNOZERLPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-13-5-7-14(8-6-13)19-16(21)12-20(2)17(22)11-18-10-15-4-3-9-23-15/h5-8,15,18H,3-4,9-12H2,1-2H3,(H,19,21).
What are the key properties of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(oxolan-2-ylmethylamino)acetamide?
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(oxolan-2-ylmethylamino)acetamide has a molecular weight of 319.40 g/mol, XLogP of 1.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(oxolan-2-ylmethylamino)acetamide is sourced from PubChem (CID 119677925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).