N-(1-amino-2-methylbutan-2-yl)-2,3-dimethoxybenzamide

C14H22N2O3 — CID 64550717

IUPACN-(1-amino-2-methylbutan-2-yl)-2,3-dimethoxybenzamide
SMILESCCC(C)(CN)NC(=O)c1cccc(OC)c1OC
InChIInChI=1S/C14H22N2O3/c1-5-14(2,9-15)16-13(17)10-7-6-8-11(18-3)12(10)19-4/h6-8H,5,9,15H2,1-4H3,(H,16,17)
InChIKeySMARUFTZQHOYPZ-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.56
Rot. Bonds6

About N-(1-amino-2-methylbutan-2-yl)-2,3-dimethoxybenzamide

N-(1-amino-2-methylbutan-2-yl)-2,3-dimethoxybenzamide (PubChem CID 64550717) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-(1-amino-2-methylbutan-2-yl)-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-(1-amino-2-methylbutan-2-yl)-2,3-dimethoxybenzamide
PubChem CID64550717
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-(1-amino-2-methylbutan-2-yl)-2,3-dimethoxybenzamide
SMILESCCC(C)(CN)NC(=O)c1cccc(OC)c1OC
InChIInChI=1S/C14H22N2O3/c1-5-14(2,9-15)16-13(17)10-7-6-8-11(18-3)12(10)19-4/h6-8H,5,9,15H2,1-4H3,(H,16,17)
InChIKeySMARUFTZQHOYPZ-UHFFFAOYSA-N
XLogP1.56
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-chloro-2-methylbutan-2-yl)-2,3-dimethoxybenzamide
CID 113273131
2-amino-3-methoxy-N-(3-methylpentan-3-yl)benzamide
CID 114174079
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-2,3-dimethoxybenzamide
CID 61120213
N-(1-amino-2-methylbutan-2-yl)-2,3-dihydroxybenzamide
CID 114345388
N-(1-amino-2-methylbutan-2-yl)-2-hydroxy-3-methylbenzamide
CID 64549061
N-[(3S)-3-hydroxy-2-methylbutan-2-yl]-2,3-dimethoxybenzamide
CID 97254550
N-(2-amino-2-methylpropyl)-2,3-dimethoxybenzamide;hydrochloride
CID 119630210
N-[(3R)-3-hydroxy-2-methylbutan-2-yl]-2,3-dimethoxybenzamide
CID 97254551
N-(1-bromo-3-methylpentan-3-yl)-2-hydroxy-3-methoxybenzamide
CID 114153212
N-(2-hydroxy-2-methylpropyl)-2,3-dimethoxybenzamide
CID 65110006
2,3-dimethoxy-N-sulfanylbenzamide
CID 71771535
3-[(2,3-dimethoxybenzoyl)amino]-2,2-dimethylpropanoic acid
CID 81368352

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylbutan-2-yl)-2,3-dimethoxybenzamide?
The IUPAC name of N-(1-amino-2-methylbutan-2-yl)-2,3-dimethoxybenzamide (CID 64550717) is N-(1-amino-2-methylbutan-2-yl)-2,3-dimethoxybenzamide.
What is the SMILES notation for N-(1-amino-2-methylbutan-2-yl)-2,3-dimethoxybenzamide?
The canonical SMILES for N-(1-amino-2-methylbutan-2-yl)-2,3-dimethoxybenzamide is CCC(C)(CN)NC(=O)c1cccc(OC)c1OC.
What is the InChIKey of N-(1-amino-2-methylbutan-2-yl)-2,3-dimethoxybenzamide?
The InChIKey is SMARUFTZQHOYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-5-14(2,9-15)16-13(17)10-7-6-8-11(18-3)12(10)19-4/h6-8H,5,9,15H2,1-4H3,(H,16,17).
What are the key properties of N-(1-amino-2-methylbutan-2-yl)-2,3-dimethoxybenzamide?
N-(1-amino-2-methylbutan-2-yl)-2,3-dimethoxybenzamide has a molecular weight of 266.34 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylbutan-2-yl)-2,3-dimethoxybenzamide is sourced from PubChem (CID 64550717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).