4-[2-[bis[(2S)-butan-2-yl]amino]-2-oxoethoxy]benzamide

C17H26N2O3 — CID 8566212

IUPAC4-[2-[bis[(2S)-butan-2-yl]amino]-2-oxoethoxy]benzamide
SMILESCC[C@H](C)N(C(=O)COc1ccc(C(N)=O)cc1)[C@@H](C)CC
InChIInChI=1S/C17H26N2O3/c1-5-12(3)19(13(4)6-2)16(20)11-22-15-9-7-14(8-10-15)17(18)21/h7-10,12-13H,5-6,11H2,1-4H3,(H2,18,21)/t12-,13-/m0/s1
InChIKeyURAIFGBRDAGGHC-STQMWFEESA-N
MW306.41 g/mol
LogP2.59
Rot. Bonds8

About 4-[2-[bis[(2S)-butan-2-yl]amino]-2-oxoethoxy]benzamide

4-[2-[bis[(2S)-butan-2-yl]amino]-2-oxoethoxy]benzamide (PubChem CID 8566212) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-[2-[bis[(2S)-butan-2-yl]amino]-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name4-[2-[bis[(2S)-butan-2-yl]amino]-2-oxoethoxy]benzamide
PubChem CID8566212
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name4-[2-[bis[(2S)-butan-2-yl]amino]-2-oxoethoxy]benzamide
SMILESCC[C@H](C)N(C(=O)COc1ccc(C(N)=O)cc1)[C@@H](C)CC
InChIInChI=1S/C17H26N2O3/c1-5-12(3)19(13(4)6-2)16(20)11-22-15-9-7-14(8-10-15)17(18)21/h7-10,12-13H,5-6,11H2,1-4H3,(H2,18,21)/t12-,13-/m0/s1
InChIKeyURAIFGBRDAGGHC-STQMWFEESA-N
XLogP2.59
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(dipropylamino)-2-oxoethoxy]benzamide
CID 8566203
4-[2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-2-oxoethoxy]benzamide
CID 87018231
4-(4-ethoxyphenyl)benzamide
CID 163572533
4-[2-[benzyl(tert-butyl)amino]-2-oxoethoxy]benzamide
CID 16545469
4-(2-sulfanylpropoxy)benzamide
CID 137429548
(2S)-2-[[2-(4-carbamoylphenoxy)acetyl]amino]propanoic acid
CID 119943040
benzamide;1,4-diethoxybenzene
CID 162120306
2-(4-ethylphenoxy)-N,N-di(propan-2-yl)acetamide
CID 19165748
2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-methyl-N-(2-methylbutyl)acetamide
CID 43296221
4-[2-[2-(methylamino)propylamino]-2-oxoethoxy]benzamide
CID 120826819
2-[butan-2-yl-[2-(4-ethoxyphenoxy)acetyl]amino]acetic acid
CID 119954855
4-(3-methylpentan-2-yl)benzamide
CID 126657369

Frequently Asked Questions

What is the IUPAC name of 4-[2-[bis[(2S)-butan-2-yl]amino]-2-oxoethoxy]benzamide?
The IUPAC name of 4-[2-[bis[(2S)-butan-2-yl]amino]-2-oxoethoxy]benzamide (CID 8566212) is 4-[2-[bis[(2S)-butan-2-yl]amino]-2-oxoethoxy]benzamide.
What is the SMILES notation for 4-[2-[bis[(2S)-butan-2-yl]amino]-2-oxoethoxy]benzamide?
The canonical SMILES for 4-[2-[bis[(2S)-butan-2-yl]amino]-2-oxoethoxy]benzamide is CC[C@H](C)N(C(=O)COc1ccc(C(N)=O)cc1)[C@@H](C)CC.
What is the InChIKey of 4-[2-[bis[(2S)-butan-2-yl]amino]-2-oxoethoxy]benzamide?
The InChIKey is URAIFGBRDAGGHC-STQMWFEESA-N. The full InChI is InChI=1S/C17H26N2O3/c1-5-12(3)19(13(4)6-2)16(20)11-22-15-9-7-14(8-10-15)17(18)21/h7-10,12-13H,5-6,11H2,1-4H3,(H2,18,21)/t12-,13-/m0/s1.
What are the key properties of 4-[2-[bis[(2S)-butan-2-yl]amino]-2-oxoethoxy]benzamide?
4-[2-[bis[(2S)-butan-2-yl]amino]-2-oxoethoxy]benzamide has a molecular weight of 306.41 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[bis[(2S)-butan-2-yl]amino]-2-oxoethoxy]benzamide is sourced from PubChem (CID 8566212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).