2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide

C19H31N3O3 — CID 51261210

IUPAC2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN(C)CC(=O)NC(C)c1ccc(C)c(C)c1
InChIInChI=1S/C19H31N3O3/c1-14-7-8-17(11-15(14)2)16(3)21-19(24)13-22(4)12-18(23)20-9-6-10-25-5/h7-8,11,16H,6,9-10,12-13H2,1-5H3,(H,20,23)(H,21,24)
InChIKeyGXRGPPLZEQDUBS-UHFFFAOYSA-N
MW349.48 g/mol
LogP1.57
Rot. Bonds10

About 2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide

2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide (PubChem CID 51261210) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is 2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide
PubChem CID51261210
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Name2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN(C)CC(=O)NC(C)c1ccc(C)c(C)c1
InChIInChI=1S/C19H31N3O3/c1-14-7-8-17(11-15(14)2)16(3)21-19(24)13-22(4)12-18(23)20-9-6-10-25-5/h7-8,11,16H,6,9-10,12-13H2,1-5H3,(H,20,23)(H,21,24)
InChIKeyGXRGPPLZEQDUBS-UHFFFAOYSA-N
XLogP1.57
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 51224203
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 34161966
2-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide
CID 55445610
ethyl 2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-(2-methoxyethyl)amino]acetate
CID 47825221
4-[[[2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9124829
N-[1-(3,4-dimethylphenyl)ethyl]-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide
CID 46809808
N-[1-(3,4-dimethylphenyl)ethyl]-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
CID 46671982
2-[bis(2-hydroxyethyl)amino]-N-[1-(3,4-dimethylphenyl)ethyl]acetamide
CID 110881147
methyl 2-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]acetate
CID 60660409
2-[[2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl]-ethylamino]-N-propan-2-ylacetamide
CID 8906855
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 26034287
2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-propan-2-ylamino]acetamide
CID 51243480

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide (CID 51261210) is 2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CN(C)CC(=O)NC(C)c1ccc(C)c(C)c1.
What is the InChIKey of 2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide?
The InChIKey is GXRGPPLZEQDUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-14-7-8-17(11-15(14)2)16(3)21-19(24)13-22(4)12-18(23)20-9-6-10-25-5/h7-8,11,16H,6,9-10,12-13H2,1-5H3,(H,20,23)(H,21,24).
What are the key properties of 2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide?
2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide has a molecular weight of 349.48 g/mol, XLogP of 1.57, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 51261210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).