N-(1-cyanopropan-2-yl)-2,5-dimethoxy-N-methylbenzamide

C14H18N2O3 — CID 63224778

IUPACN-(1-cyanopropan-2-yl)-2,5-dimethoxy-N-methylbenzamide
SMILESCOc1ccc(OC)c(C(=O)N(C)C(C)CC#N)c1
InChIInChI=1S/C14H18N2O3/c1-10(7-8-15)16(2)14(17)12-9-11(18-3)5-6-13(12)19-4/h5-6,9-10H,7H2,1-4H3
InChIKeyZQBMOFXERGRUJW-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.08
Rot. Bonds5

About N-(1-cyanopropan-2-yl)-2,5-dimethoxy-N-methylbenzamide

N-(1-cyanopropan-2-yl)-2,5-dimethoxy-N-methylbenzamide (PubChem CID 63224778) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-(1-cyanopropan-2-yl)-2,5-dimethoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(1-cyanopropan-2-yl)-2,5-dimethoxy-N-methylbenzamide
PubChem CID63224778
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-(1-cyanopropan-2-yl)-2,5-dimethoxy-N-methylbenzamide
SMILESCOc1ccc(OC)c(C(=O)N(C)C(C)CC#N)c1
InChIInChI=1S/C14H18N2O3/c1-10(7-8-15)16(2)14(17)12-9-11(18-3)5-6-13(12)19-4/h5-6,9-10H,7H2,1-4H3
InChIKeyZQBMOFXERGRUJW-UHFFFAOYSA-N
XLogP2.08
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-hydroxypropan-2-yl)-2,5-dimethoxy-N-methylbenzamide
CID 112704642
2,5-dimethoxy-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 74627130
2,5-dimethoxy-N-methyl-N-(1-phenylethyl)benzamide
CID 43022056
N-(1-cyanopropan-2-yl)-4-fluoro-3-methoxy-N-methylbenzamide
CID 81005646
N-(1-aminopropan-2-yl)-2,4-dimethoxy-N-methylbenzamide
CID 112701391
N-(1-cyanopropan-2-yl)-N,5-dimethyl-2-(methylamino)benzamide
CID 63228598
2-(2,5-dimethoxybenzoyl)pentanenitrile
CID 79405162
4-(4-acetylphenoxy)-N-[(2S)-1-cyanopropan-2-yl]-N-methylbenzamide
CID 97082907
1-(2,5-dimethoxyphenyl)-2-(dimethylamino)ethanone
CID 13302045
2,5-dimethoxy-N-methyl-N-phenylbenzamide
CID 16849123
2-bromo-5-methoxy-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 60745117
N-(4-amino-4-sulfanylidenebutan-2-yl)-2,4-dimethoxy-N-methylbenzamide
CID 63223316

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopropan-2-yl)-2,5-dimethoxy-N-methylbenzamide?
The IUPAC name of N-(1-cyanopropan-2-yl)-2,5-dimethoxy-N-methylbenzamide (CID 63224778) is N-(1-cyanopropan-2-yl)-2,5-dimethoxy-N-methylbenzamide.
What is the SMILES notation for N-(1-cyanopropan-2-yl)-2,5-dimethoxy-N-methylbenzamide?
The canonical SMILES for N-(1-cyanopropan-2-yl)-2,5-dimethoxy-N-methylbenzamide is COc1ccc(OC)c(C(=O)N(C)C(C)CC#N)c1.
What is the InChIKey of N-(1-cyanopropan-2-yl)-2,5-dimethoxy-N-methylbenzamide?
The InChIKey is ZQBMOFXERGRUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-10(7-8-15)16(2)14(17)12-9-11(18-3)5-6-13(12)19-4/h5-6,9-10H,7H2,1-4H3.
What are the key properties of N-(1-cyanopropan-2-yl)-2,5-dimethoxy-N-methylbenzamide?
N-(1-cyanopropan-2-yl)-2,5-dimethoxy-N-methylbenzamide has a molecular weight of 262.31 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopropan-2-yl)-2,5-dimethoxy-N-methylbenzamide is sourced from PubChem (CID 63224778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).