2-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide

C20H31N3O3 — CID 78817860

IUPAC2-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1cccc(OC)c1)CC(=O)N1C(C)CCCC1C
InChIInChI=1S/C20H31N3O3/c1-5-22(14-20(25)23-15(2)8-6-9-16(23)3)13-19(24)21-17-10-7-11-18(12-17)26-4/h7,10-12,15-16H,5-6,8-9,13-14H2,1-4H3,(H,21,24)
InChIKeyNMJCCVWUSKLLDP-UHFFFAOYSA-N
MW361.49 g/mol
LogP2.75
Rot. Bonds7

About 2-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide

2-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide (PubChem CID 78817860) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is 2-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
PubChem CID78817860
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name2-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1cccc(OC)c1)CC(=O)N1C(C)CCCC1C
InChIInChI=1S/C20H31N3O3/c1-5-22(14-20(25)23-15(2)8-6-9-16(23)3)13-19(24)21-17-10-7-11-18(12-17)26-4/h7,10-12,15-16H,5-6,8-9,13-14H2,1-4H3,(H,21,24)
InChIKeyNMJCCVWUSKLLDP-UHFFFAOYSA-N
XLogP2.75
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8554767
methyl 2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetate
CID 60674332
N-cyclopropyl-2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 34434295
N-(4-acetamidophenyl)-2-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-ethylamino]acetamide
CID 51225610
ethyl 2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetate
CID 60674331
2-[ethyl-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]amino]-N-(3-methoxyphenyl)acetamide
CID 46594883
2-[[2-(3-bromoanilino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 9026006
2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-(3-methoxyphenyl)acetamide
CID 106615533
2-[ethyl(piperidin-4-ylmethyl)amino]-N-(3-methoxyphenyl)acetamide;hydrochloride
CID 119929477
4-[[2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]-N,N-dimethylbenzamide
CID 9025684
3-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]-2-methylpropanoic acid
CID 62851901
2-[ethyl-[2-(N-methylanilino)-2-oxoethyl]amino]-N-(3-methoxyphenyl)acetamide
CID 34434223

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide (CID 78817860) is 2-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide is CCN(CC(=O)Nc1cccc(OC)c1)CC(=O)N1C(C)CCCC1C.
What is the InChIKey of 2-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide?
The InChIKey is NMJCCVWUSKLLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-5-22(14-20(25)23-15(2)8-6-9-16(23)3)13-19(24)21-17-10-7-11-18(12-17)26-4/h7,10-12,15-16H,5-6,8-9,13-14H2,1-4H3,(H,21,24).
What are the key properties of 2-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide?
2-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide has a molecular weight of 361.49 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 78817860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).