2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(1-ethylpiperidin-4-yl)acetamide

C19H29ClN4O3 — CID 8794053

IUPAC2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(1-ethylpiperidin-4-yl)acetamide
SMILESCCN1CCC(NC(=O)CN(C)CC(=O)Nc2cc(Cl)ccc2OC)CC1
InChIInChI=1S/C19H29ClN4O3/c1-4-24-9-7-15(8-10-24)21-18(25)12-23(2)13-19(26)22-16-11-14(20)5-6-17(16)27-3/h5-6,11,15H,4,7-10,12-13H2,1-3H3,(H,21,25)(H,22,26)
InChIKeyJBMSXTYRGGTNHE-UHFFFAOYSA-N
MW396.92 g/mol
LogP1.82
Rot. Bonds8

About 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(1-ethylpiperidin-4-yl)acetamide

2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(1-ethylpiperidin-4-yl)acetamide (PubChem CID 8794053) has the molecular formula C19H29ClN4O3 and a molecular weight of 396.92 g/mol. Its IUPAC name is 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(1-ethylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(1-ethylpiperidin-4-yl)acetamide
PubChem CID8794053
Molecular FormulaC19H29ClN4O3
Molecular Weight396.92 g/mol
Exact Mass396.19
IUPAC Name2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(1-ethylpiperidin-4-yl)acetamide
SMILESCCN1CCC(NC(=O)CN(C)CC(=O)Nc2cc(Cl)ccc2OC)CC1
InChIInChI=1S/C19H29ClN4O3/c1-4-24-9-7-15(8-10-24)21-18(25)12-23(2)13-19(26)22-16-11-14(20)5-6-17(16)27-3/h5-6,11,15H,4,7-10,12-13H2,1-3H3,(H,21,25)(H,22,26)
InChIKeyJBMSXTYRGGTNHE-UHFFFAOYSA-N
XLogP1.82
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-[[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-methylamino]acetamide
CID 8001433
2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 9222334
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 9222495
2-[[2-[bis[(2S)-butan-2-yl]amino]-2-oxoethyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 8794021
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-ethoxyphenyl)acetamide
CID 9222402
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-(1-ethylpiperidin-4-yl)acetamide
CID 8790519
2-[2-aminoethyl(methyl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 62686650
N-(5-chloro-2-methoxyphenyl)-2-[[2-(2,6-diethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 9222409
N-(5-chloro-2-methoxyphenyl)-2-[methyl(piperidin-4-ylmethyl)amino]acetamide
CID 119929559
N-(5-chloro-2-methoxyphenyl)-3-(4-ethylpiperazin-1-yl)-3-oxopropanamide
CID 108944601
N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]acetamide
CID 9137299
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-ethylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 2549104

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(1-ethylpiperidin-4-yl)acetamide?
The IUPAC name of 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(1-ethylpiperidin-4-yl)acetamide (CID 8794053) is 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(1-ethylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(1-ethylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(1-ethylpiperidin-4-yl)acetamide is CCN1CCC(NC(=O)CN(C)CC(=O)Nc2cc(Cl)ccc2OC)CC1.
What is the InChIKey of 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(1-ethylpiperidin-4-yl)acetamide?
The InChIKey is JBMSXTYRGGTNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClN4O3/c1-4-24-9-7-15(8-10-24)21-18(25)12-23(2)13-19(26)22-16-11-14(20)5-6-17(16)27-3/h5-6,11,15H,4,7-10,12-13H2,1-3H3,(H,21,25)(H,22,26).
What are the key properties of 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(1-ethylpiperidin-4-yl)acetamide?
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(1-ethylpiperidin-4-yl)acetamide has a molecular weight of 396.92 g/mol, XLogP of 1.82, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(1-ethylpiperidin-4-yl)acetamide is sourced from PubChem (CID 8794053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).