N-(1-cyano-2-methylpropyl)-3,5-dimethoxybenzamide

C14H18N2O3 — CID 63931261

IUPACN-(1-cyano-2-methylpropyl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NC(C#N)C(C)C)c1
InChIInChI=1S/C14H18N2O3/c1-9(2)13(8-15)16-14(17)10-5-11(18-3)7-12(6-10)19-4/h5-7,9,13H,1-4H3,(H,16,17)
InChIKeyBKAQEVISLAMLFM-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.98
Rot. Bonds5

About N-(1-cyano-2-methylpropyl)-3,5-dimethoxybenzamide

N-(1-cyano-2-methylpropyl)-3,5-dimethoxybenzamide (PubChem CID 63931261) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-(1-cyano-2-methylpropyl)-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(1-cyano-2-methylpropyl)-3,5-dimethoxybenzamide
PubChem CID63931261
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-(1-cyano-2-methylpropyl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NC(C#N)C(C)C)c1
InChIInChI=1S/C14H18N2O3/c1-9(2)13(8-15)16-14(17)10-5-11(18-3)7-12(6-10)19-4/h5-7,9,13H,1-4H3,(H,16,17)
InChIKeyBKAQEVISLAMLFM-UHFFFAOYSA-N
XLogP1.98
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyano-2-methylpropyl)-3,5-difluorobenzamide
CID 63931471
N-(1-bromo-3-methylbutan-2-yl)-3,5-dimethoxybenzamide
CID 114316286
N-(1-cyano-2-methylpropyl)-4-fluorobenzamide
CID 63929792
3,4-dichloro-N-(1-cyano-2-methylpropyl)benzamide
CID 63928748
methyl 2-[(3,5-dimethoxybenzoyl)amino]-3-hydroxybutanoate
CID 85159268
3-bromo-5-methoxy-N-propan-2-ylbenzamide
CID 138985588
N-(1-cyanoethyl)-4-methoxybenzamide
CID 61119459
4-bromo-3-chloro-N-(1-cyano-2-methylpropyl)benzamide
CID 81003026
N-[1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
CID 75440136
3,5-dimethoxy-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 94012593
2-[[2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoyl]-methylamino]propanoic acid
CID 119359079
(2S)-2-[(3,5-dimethoxybenzoyl)amino]butanoic acid
CID 42255068

Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-2-methylpropyl)-3,5-dimethoxybenzamide?
The IUPAC name of N-(1-cyano-2-methylpropyl)-3,5-dimethoxybenzamide (CID 63931261) is N-(1-cyano-2-methylpropyl)-3,5-dimethoxybenzamide.
What is the SMILES notation for N-(1-cyano-2-methylpropyl)-3,5-dimethoxybenzamide?
The canonical SMILES for N-(1-cyano-2-methylpropyl)-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NC(C#N)C(C)C)c1.
What is the InChIKey of N-(1-cyano-2-methylpropyl)-3,5-dimethoxybenzamide?
The InChIKey is BKAQEVISLAMLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9(2)13(8-15)16-14(17)10-5-11(18-3)7-12(6-10)19-4/h5-7,9,13H,1-4H3,(H,16,17).
What are the key properties of N-(1-cyano-2-methylpropyl)-3,5-dimethoxybenzamide?
N-(1-cyano-2-methylpropyl)-3,5-dimethoxybenzamide has a molecular weight of 262.31 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-2-methylpropyl)-3,5-dimethoxybenzamide is sourced from PubChem (CID 63931261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).