2-[[2-[bis[(2S)-butan-2-yl]amino]-2-oxoethyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide

C20H32ClN3O3 — CID 8794021

IUPAC2-[[2-[bis[(2S)-butan-2-yl]amino]-2-oxoethyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
SMILESCC[C@H](C)N(C(=O)CN(C)CC(=O)Nc1cc(Cl)ccc1OC)[C@@H](C)CC
InChIInChI=1S/C20H32ClN3O3/c1-7-14(3)24(15(4)8-2)20(26)13-23(5)12-19(25)22-17-11-16(21)9-10-18(17)27-6/h9-11,14-15H,7-8,12-13H2,1-6H3,(H,22,25)/t14-,15-/m0/s1
InChIKeyKGEHOWDAWIATLI-GJZGRUSLSA-N
MW397.95 g/mol
LogP3.64
Rot. Bonds10

About 2-[[2-[bis[(2S)-butan-2-yl]amino]-2-oxoethyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide

2-[[2-[bis[(2S)-butan-2-yl]amino]-2-oxoethyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide (PubChem CID 8794021) has the molecular formula C20H32ClN3O3 and a molecular weight of 397.95 g/mol. Its IUPAC name is 2-[[2-[bis[(2S)-butan-2-yl]amino]-2-oxoethyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[bis[(2S)-butan-2-yl]amino]-2-oxoethyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
PubChem CID8794021
Molecular FormulaC20H32ClN3O3
Molecular Weight397.95 g/mol
Exact Mass397.21
IUPAC Name2-[[2-[bis[(2S)-butan-2-yl]amino]-2-oxoethyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
SMILESCC[C@H](C)N(C(=O)CN(C)CC(=O)Nc1cc(Cl)ccc1OC)[C@@H](C)CC
InChIInChI=1S/C20H32ClN3O3/c1-7-14(3)24(15(4)8-2)20(26)13-23(5)12-19(25)22-17-11-16(21)9-10-18(17)27-6/h9-11,14-15H,7-8,12-13H2,1-6H3,(H,22,25)/t14-,15-/m0/s1
InChIKeyKGEHOWDAWIATLI-GJZGRUSLSA-N
XLogP3.64
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.95
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[bis[(2S)-butan-2-yl]amino]-2-oxoethyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide with MolForge

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Related Compounds

methyl (2S,3S)-2-[[2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-3-methylpentanoate
CID 8794057
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-(2-ethoxyphenyl)acetamide
CID 9222402
2-[2-aminoethyl(methyl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 62686650
2-[acetyl(propan-2-yl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 113158224
N-(5-chloro-2-methoxyphenyl)-2-[[2-(2,6-diethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 9222409
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 27245883
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(1-ethylpiperidin-4-yl)acetamide
CID 8794053
2-[(2-amino-2-methylpropyl)-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 120847420
methyl 3-[[2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]thiophene-2-carboxylate
CID 24566418
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 9222495
N-(5-chloro-2-methoxyphenyl)-2-[methyl-[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl]amino]acetamide
CID 9348008

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[bis[(2S)-butan-2-yl]amino]-2-oxoethyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide?
The IUPAC name of 2-[[2-[bis[(2S)-butan-2-yl]amino]-2-oxoethyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide (CID 8794021) is 2-[[2-[bis[(2S)-butan-2-yl]amino]-2-oxoethyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[[2-[bis[(2S)-butan-2-yl]amino]-2-oxoethyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[[2-[bis[(2S)-butan-2-yl]amino]-2-oxoethyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide is CC[C@H](C)N(C(=O)CN(C)CC(=O)Nc1cc(Cl)ccc1OC)[C@@H](C)CC.
What is the InChIKey of 2-[[2-[bis[(2S)-butan-2-yl]amino]-2-oxoethyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide?
The InChIKey is KGEHOWDAWIATLI-GJZGRUSLSA-N. The full InChI is InChI=1S/C20H32ClN3O3/c1-7-14(3)24(15(4)8-2)20(26)13-23(5)12-19(25)22-17-11-16(21)9-10-18(17)27-6/h9-11,14-15H,7-8,12-13H2,1-6H3,(H,22,25)/t14-,15-/m0/s1.
What are the key properties of 2-[[2-[bis[(2S)-butan-2-yl]amino]-2-oxoethyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide?
2-[[2-[bis[(2S)-butan-2-yl]amino]-2-oxoethyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide has a molecular weight of 397.95 g/mol, XLogP of 3.64, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[bis[(2S)-butan-2-yl]amino]-2-oxoethyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide is sourced from PubChem (CID 8794021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).