N-(2-cyano-2-methylpropyl)-2-methoxybenzamide

C13H16N2O2 — CID 113372695

IUPACN-(2-cyano-2-methylpropyl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCC(C)(C)C#N
InChIInChI=1S/C13H16N2O2/c1-13(2,8-14)9-15-12(16)10-6-4-5-7-11(10)17-3/h4-7H,9H2,1-3H3,(H,15,16)
InChIKeyHBBYHSAGPNIZHD-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.97
Rot. Bonds4

About N-(2-cyano-2-methylpropyl)-2-methoxybenzamide

N-(2-cyano-2-methylpropyl)-2-methoxybenzamide (PubChem CID 113372695) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-(2-cyano-2-methylpropyl)-2-methoxybenzamide.

Molecular Properties

Compound NameN-(2-cyano-2-methylpropyl)-2-methoxybenzamide
PubChem CID113372695
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-(2-cyano-2-methylpropyl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCC(C)(C)C#N
InChIInChI=1S/C13H16N2O2/c1-13(2,8-14)9-15-12(16)10-6-4-5-7-11(10)17-3/h4-7H,9H2,1-3H3,(H,15,16)
InChIKeyHBBYHSAGPNIZHD-UHFFFAOYSA-N
XLogP1.97
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-difluoro-3-hydroxypropyl)-2-methoxybenzamide
CID 104857085
N-[2-(2,2-dimethylpropanoylamino)ethyl]-2-methoxybenzamide
CID 108538118
2-methoxy-N-prop-2-enylbenzamide
CID 4063222
N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-2-methoxybenzamide
CID 95983592
N-(2,2-dimethylpropyl)-2-hydroxy-3-methoxybenzamide
CID 61166501
N-(2-amino-2-methylpropyl)-2-(2-methoxyethoxy)benzamide;hydrochloride
CID 119630205
2-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103723044
N-(2-amino-2-methylpropyl)-2,3-dimethoxybenzamide;hydrochloride
CID 119630210
[2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
CID 42902859
2-methoxybenzohydrazide
CID 24051
2-hydroxy-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538036
2,6-dimethoxy-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538022

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-2-methylpropyl)-2-methoxybenzamide?
The IUPAC name of N-(2-cyano-2-methylpropyl)-2-methoxybenzamide (CID 113372695) is N-(2-cyano-2-methylpropyl)-2-methoxybenzamide.
What is the SMILES notation for N-(2-cyano-2-methylpropyl)-2-methoxybenzamide?
The canonical SMILES for N-(2-cyano-2-methylpropyl)-2-methoxybenzamide is COc1ccccc1C(=O)NCC(C)(C)C#N.
What is the InChIKey of N-(2-cyano-2-methylpropyl)-2-methoxybenzamide?
The InChIKey is HBBYHSAGPNIZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-13(2,8-14)9-15-12(16)10-6-4-5-7-11(10)17-3/h4-7H,9H2,1-3H3,(H,15,16).
What are the key properties of N-(2-cyano-2-methylpropyl)-2-methoxybenzamide?
N-(2-cyano-2-methylpropyl)-2-methoxybenzamide has a molecular weight of 232.28 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-2-methylpropyl)-2-methoxybenzamide is sourced from PubChem (CID 113372695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).