2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]acetamide

C18H28N4O3 — CID 131904290

IUPAC2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]acetamide
SMILESCOCC(=O)Nc1ccc(NC(=O)CN2CCC(N(C)C)C2)cc1C
InChIInChI=1S/C18H28N4O3/c1-13-9-14(5-6-16(13)20-18(24)12-25-4)19-17(23)11-22-8-7-15(10-22)21(2)3/h5-6,9,15H,7-8,10-12H2,1-4H3,(H,19,23)(H,20,24)
InChIKeyIRXFUDYJMXOBQM-UHFFFAOYSA-N
MW348.45 g/mol
LogP1.15
Rot. Bonds7

About 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]acetamide

2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]acetamide (PubChem CID 131904290) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]acetamide.

Molecular Properties

Compound Name2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]acetamide
PubChem CID131904290
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]acetamide
SMILESCOCC(=O)Nc1ccc(NC(=O)CN2CCC(N(C)C)C2)cc1C
InChIInChI=1S/C18H28N4O3/c1-13-9-14(5-6-16(13)20-18(24)12-25-4)19-17(23)11-22-8-7-15(10-22)21(2)3/h5-6,9,15H,7-8,10-12H2,1-4H3,(H,19,23)(H,20,24)
InChIKeyIRXFUDYJMXOBQM-UHFFFAOYSA-N
XLogP1.15
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-amino-2-methoxyphenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide
CID 63166002
2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[4-[[4-[[2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]acetyl]amino]phenyl]methyl]phenyl]acetamide
CID 53322175
N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-3-(1-methylpiperidin-3-yl)propanamide
CID 131941622
N-(3-aminophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide
CID 63165957
1-[3-(dimethylamino)pyrrolidin-1-yl]-3-methoxypropan-2-one
CID 107507402
N-(3-cyanophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide
CID 63164005
methyl 1-[2-(4-iodo-2-methylanilino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 112731432
1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(2,4-dimethylphenyl)piperidine-4-carboxamide
CID 16909852
N-[3-chloro-4-[(2-methoxyacetyl)amino]phenyl]-2-(1,3-dihydroisoindol-2-yl)acetamide
CID 131890366
N-(3,4-dimethylphenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 103898555
4-methyl-N-[3-methyl-4-[[2-(3-methylpiperidin-1-yl)acetyl]amino]phenyl]benzamide
CID 3206736
2-(3-hydroxy-4-methylpiperidin-1-yl)-N-(4-iodo-2-methylphenyl)acetamide
CID 103898494

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]acetamide?
The IUPAC name of 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]acetamide (CID 131904290) is 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]acetamide.
What is the SMILES notation for 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]acetamide?
The canonical SMILES for 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]acetamide is COCC(=O)Nc1ccc(NC(=O)CN2CCC(N(C)C)C2)cc1C.
What is the InChIKey of 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]acetamide?
The InChIKey is IRXFUDYJMXOBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-13-9-14(5-6-16(13)20-18(24)12-25-4)19-17(23)11-22-8-7-15(10-22)21(2)3/h5-6,9,15H,7-8,10-12H2,1-4H3,(H,19,23)(H,20,24).
What are the key properties of 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]acetamide?
2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]acetamide has a molecular weight of 348.45 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]acetamide is sourced from PubChem (CID 131904290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).