N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-3-[(2R,5S)-5-methyloxolan-2-yl]propanamide

C19H28N2O3 — CID 97218604

IUPACN-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-3-[(2R,5S)-5-methyloxolan-2-yl]propanamide
SMILESCc1ccc(C)c(NC(=O)CN(C)C(=O)CC[C@H]2CC[C@H](C)O2)c1
InChIInChI=1S/C19H28N2O3/c1-13-5-6-14(2)17(11-13)20-18(22)12-21(4)19(23)10-9-16-8-7-15(3)24-16/h5-6,11,15-16H,7-10,12H2,1-4H3,(H,20,22)/t15-,16+/m0/s1
InChIKeyQQYHSEFSCAYITM-JKSUJKDBSA-N
MW332.44 g/mol
LogP3.05
Rot. Bonds6

About N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-3-[(2R,5S)-5-methyloxolan-2-yl]propanamide

N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-3-[(2R,5S)-5-methyloxolan-2-yl]propanamide (PubChem CID 97218604) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-3-[(2R,5S)-5-methyloxolan-2-yl]propanamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-3-[(2R,5S)-5-methyloxolan-2-yl]propanamide
PubChem CID97218604
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-3-[(2R,5S)-5-methyloxolan-2-yl]propanamide
SMILESCc1ccc(C)c(NC(=O)CN(C)C(=O)CC[C@H]2CC[C@H](C)O2)c1
InChIInChI=1S/C19H28N2O3/c1-13-5-6-14(2)17(11-13)20-18(22)12-21(4)19(23)10-9-16-8-7-15(3)24-16/h5-6,11,15-16H,7-10,12H2,1-4H3,(H,20,22)/t15-,16+/m0/s1
InChIKeyQQYHSEFSCAYITM-JKSUJKDBSA-N
XLogP3.05
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanoyl-methylamino]acetic acid
CID 84562924
4-methyl-3-[3-(5-methyloxolan-2-yl)propanoylamino]benzoic acid
CID 119219419
2-[(1R)-cyclopent-2-en-1-yl]-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylacetamide
CID 9319185
3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(2,5-dimethylphenyl)propanamide
CID 84567734
N-benzyl-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-methylpropanamide
CID 84562482
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-(2-fluorophenyl)-N-methylpropanamide
CID 9427990
2-(4-chlorophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylacetamide
CID 8914683
2-(4-acetylpiperazin-1-yl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylacetamide
CID 9033807
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 8637936
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 9479956
2-(2,6-dichlorophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylacetamide
CID 2672667
[2-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] (3R)-3-methylpiperidine-1-carbodithioate
CID 9319064

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-3-[(2R,5S)-5-methyloxolan-2-yl]propanamide?
The IUPAC name of N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-3-[(2R,5S)-5-methyloxolan-2-yl]propanamide (CID 97218604) is N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-3-[(2R,5S)-5-methyloxolan-2-yl]propanamide.
What is the SMILES notation for N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-3-[(2R,5S)-5-methyloxolan-2-yl]propanamide?
The canonical SMILES for N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-3-[(2R,5S)-5-methyloxolan-2-yl]propanamide is Cc1ccc(C)c(NC(=O)CN(C)C(=O)CC[C@H]2CC[C@H](C)O2)c1.
What is the InChIKey of N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-3-[(2R,5S)-5-methyloxolan-2-yl]propanamide?
The InChIKey is QQYHSEFSCAYITM-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-13-5-6-14(2)17(11-13)20-18(22)12-21(4)19(23)10-9-16-8-7-15(3)24-16/h5-6,11,15-16H,7-10,12H2,1-4H3,(H,20,22)/t15-,16+/m0/s1.
What are the key properties of N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-3-[(2R,5S)-5-methyloxolan-2-yl]propanamide?
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-3-[(2R,5S)-5-methyloxolan-2-yl]propanamide has a molecular weight of 332.44 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-3-[(2R,5S)-5-methyloxolan-2-yl]propanamide is sourced from PubChem (CID 97218604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).