3-methoxy-2-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzamide

C15H22N2O4 — CID 42904343

IUPAC3-methoxy-2-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzamide
SMILESCOc1cccc(C(N)=O)c1OCC(=O)NC(C)C(C)C
InChIInChI=1S/C15H22N2O4/c1-9(2)10(3)17-13(18)8-21-14-11(15(16)19)6-5-7-12(14)20-4/h5-7,9-10H,8H2,1-4H3,(H2,16,19)(H,17,18)
InChIKeyNJBFUECCOQZMBR-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.33
Rot. Bonds7

About 3-methoxy-2-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzamide

3-methoxy-2-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzamide (PubChem CID 42904343) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-methoxy-2-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name3-methoxy-2-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzamide
PubChem CID42904343
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name3-methoxy-2-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzamide
SMILESCOc1cccc(C(N)=O)c1OCC(=O)NC(C)C(C)C
InChIInChI=1S/C15H22N2O4/c1-9(2)10(3)17-13(18)8-21-14-11(15(16)19)6-5-7-12(14)20-4/h5-7,9-10H,8H2,1-4H3,(H2,16,19)(H,17,18)
InChIKeyNJBFUECCOQZMBR-UHFFFAOYSA-N
XLogP1.33
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N,N-dimethyl-2-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzamide
CID 60522484
2-[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethoxy]-3-methoxybenzamide
CID 24608300
2-(2-carbamothioylphenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 43131454
2-[2-(2,6-diethylanilino)-2-oxoethoxy]-3-methoxybenzamide
CID 46796577
3-methoxy-2-[2-(1-methoxypropan-2-ylamino)-2-oxoethoxy]benzoic acid
CID 61379229
methyl (2R)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate
CID 113257879
4-methyl-2-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzamide
CID 46681501
2,3-dimethoxybenzamide;hydrate
CID 141005510
N-(3-methylbutan-2-yl)-2-(2-propoxyphenoxy)acetamide
CID 78767914
2-(2-carbamimidoyl-6-methoxyphenoxy)-N-methylacetamide
CID 82253340
N-[(2S)-3-methylbutan-2-yl]-2-(2-methylphenoxy)acetamide
CID 94223613
2-[2-[(2-methyl-4-oxopentan-3-yl)amino]-2-oxoethoxy]benzamide
CID 43426354

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzamide?
The IUPAC name of 3-methoxy-2-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzamide (CID 42904343) is 3-methoxy-2-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzamide.
What is the SMILES notation for 3-methoxy-2-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzamide?
The canonical SMILES for 3-methoxy-2-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzamide is COc1cccc(C(N)=O)c1OCC(=O)NC(C)C(C)C.
What is the InChIKey of 3-methoxy-2-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzamide?
The InChIKey is NJBFUECCOQZMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-9(2)10(3)17-13(18)8-21-14-11(15(16)19)6-5-7-12(14)20-4/h5-7,9-10H,8H2,1-4H3,(H2,16,19)(H,17,18).
What are the key properties of 3-methoxy-2-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzamide?
3-methoxy-2-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzamide has a molecular weight of 294.35 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzamide is sourced from PubChem (CID 42904343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).