N-(4-amino-3-methyl-4-oxobutan-2-yl)-3,4-diethoxybenzamide

C16H24N2O4 — CID 70989891

IUPACN-(4-amino-3-methyl-4-oxobutan-2-yl)-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)NC(C)C(C)C(N)=O)cc1OCC
InChIInChI=1S/C16H24N2O4/c1-5-21-13-8-7-12(9-14(13)22-6-2)16(20)18-11(4)10(3)15(17)19/h7-11H,5-6H2,1-4H3,(H2,17,19)(H,18,20)
InChIKeyGGDBRMDFYRSPJA-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.72
Rot. Bonds8

About N-(4-amino-3-methyl-4-oxobutan-2-yl)-3,4-diethoxybenzamide

N-(4-amino-3-methyl-4-oxobutan-2-yl)-3,4-diethoxybenzamide (PubChem CID 70989891) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-(4-amino-3-methyl-4-oxobutan-2-yl)-3,4-diethoxybenzamide.

Molecular Properties

Compound NameN-(4-amino-3-methyl-4-oxobutan-2-yl)-3,4-diethoxybenzamide
PubChem CID70989891
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC NameN-(4-amino-3-methyl-4-oxobutan-2-yl)-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)NC(C)C(C)C(N)=O)cc1OCC
InChIInChI=1S/C16H24N2O4/c1-5-21-13-8-7-12(9-14(13)22-6-2)16(20)18-11(4)10(3)15(17)19/h7-11H,5-6H2,1-4H3,(H2,17,19)(H,18,20)
InChIKeyGGDBRMDFYRSPJA-UHFFFAOYSA-N
XLogP1.72
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-diethoxy-N-(1-hydroxypropan-2-yl)benzamide
CID 43418840
3,4-diethoxy-N-[(2S)-4-methylpentan-2-yl]benzamide
CID 59910538
N-(1-cyanopropan-2-yl)-3,4-diethoxybenzamide
CID 47087147
N-[(2S)-butan-2-yl]-3-ethoxy-4-methoxybenzamide
CID 94335981
2-[2-ethoxy-4-(propan-2-ylcarbamoyl)phenoxy]acetic acid
CID 119179061
2-[2-ethoxy-4-[[(2S)-3-methoxybutan-2-yl]carbamoyl]phenoxy]acetic acid
CID 120700652
(2R)-2-[(3,4-diethoxybenzoyl)amino]-4-methylpentanoic acid
CID 119364336
3,4-diethoxy-N-(1-phenylethyl)benzamide
CID 3369950
N-[(2S)-1-aminopropan-2-yl]-3-ethoxy-4-propoxybenzamide
CID 120504957
(2S)-2-[(3-ethoxy-4-methoxybenzoyl)amino]-3-methylbutanoic acid
CID 61137510
3,4-diethoxy-N-(2-methylpropyl)benzamide
CID 918264
N-[(1S)-1-(4-chlorophenyl)ethyl]-3,4-diethoxybenzamide
CID 8751607

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-methyl-4-oxobutan-2-yl)-3,4-diethoxybenzamide?
The IUPAC name of N-(4-amino-3-methyl-4-oxobutan-2-yl)-3,4-diethoxybenzamide (CID 70989891) is N-(4-amino-3-methyl-4-oxobutan-2-yl)-3,4-diethoxybenzamide.
What is the SMILES notation for N-(4-amino-3-methyl-4-oxobutan-2-yl)-3,4-diethoxybenzamide?
The canonical SMILES for N-(4-amino-3-methyl-4-oxobutan-2-yl)-3,4-diethoxybenzamide is CCOc1ccc(C(=O)NC(C)C(C)C(N)=O)cc1OCC.
What is the InChIKey of N-(4-amino-3-methyl-4-oxobutan-2-yl)-3,4-diethoxybenzamide?
The InChIKey is GGDBRMDFYRSPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-5-21-13-8-7-12(9-14(13)22-6-2)16(20)18-11(4)10(3)15(17)19/h7-11H,5-6H2,1-4H3,(H2,17,19)(H,18,20).
What are the key properties of N-(4-amino-3-methyl-4-oxobutan-2-yl)-3,4-diethoxybenzamide?
N-(4-amino-3-methyl-4-oxobutan-2-yl)-3,4-diethoxybenzamide has a molecular weight of 308.38 g/mol, XLogP of 1.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-methyl-4-oxobutan-2-yl)-3,4-diethoxybenzamide is sourced from PubChem (CID 70989891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).