N-(2-cyanopropyl)-N-methyl-3-propoxybenzamide

C15H20N2O2 — CID 55124980

IUPACN-(2-cyanopropyl)-N-methyl-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)N(C)CC(C)C#N)c1
InChIInChI=1S/C15H20N2O2/c1-4-8-19-14-7-5-6-13(9-14)15(18)17(3)11-12(2)10-16/h5-7,9,12H,4,8,11H2,1-3H3
InChIKeyHSINMZMMLJDHOG-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.71
Rot. Bonds6

About N-(2-cyanopropyl)-N-methyl-3-propoxybenzamide

N-(2-cyanopropyl)-N-methyl-3-propoxybenzamide (PubChem CID 55124980) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-(2-cyanopropyl)-N-methyl-3-propoxybenzamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-N-methyl-3-propoxybenzamide
PubChem CID55124980
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-(2-cyanopropyl)-N-methyl-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)N(C)CC(C)C#N)c1
InChIInChI=1S/C15H20N2O2/c1-4-8-19-14-7-5-6-13(9-14)15(18)17(3)11-12(2)10-16/h5-7,9,12H,4,8,11H2,1-3H3
InChIKeyHSINMZMMLJDHOG-UHFFFAOYSA-N
XLogP2.71
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanopropyl)-N-methyl-3-propan-2-yloxybenzamide
CID 62919125
N-(cyanomethyl)-N-methyl-3-propoxybenzamide
CID 62253083
3-[(2-cyanophenyl)methoxy]-N-[(2S)-2-cyanopropyl]-N-methylbenzamide
CID 94783638
N,N-dimethyl-3-propoxybenzamide
CID 28639811
N-(2-cyanopropyl)-N-methylnaphthalene-2-carboxamide
CID 47205391
3-(3-aminophenoxy)-N-(2-cyanopropyl)-N-methylpropanamide
CID 61116829
3-amino-N-(2-cyanopropyl)-4-ethoxy-N-methylbenzamide
CID 61116071
N-(4-amino-4-sulfanylidenebutan-2-yl)-N-methyl-3-propoxybenzamide
CID 63223603
N-(3-amino-2-methylpropyl)-N-ethyl-3-propoxybenzamide
CID 62919665
N-[(2-bromophenyl)methyl]-N-methyl-3-propoxybenzamide
CID 55770837
N-[(2R)-2-cyanopropyl]-N-methyl-4-[methyl(propyl)amino]benzamide
CID 95048192
N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-3-propoxybenzamide
CID 76977885

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-N-methyl-3-propoxybenzamide?
The IUPAC name of N-(2-cyanopropyl)-N-methyl-3-propoxybenzamide (CID 55124980) is N-(2-cyanopropyl)-N-methyl-3-propoxybenzamide.
What is the SMILES notation for N-(2-cyanopropyl)-N-methyl-3-propoxybenzamide?
The canonical SMILES for N-(2-cyanopropyl)-N-methyl-3-propoxybenzamide is CCCOc1cccc(C(=O)N(C)CC(C)C#N)c1.
What is the InChIKey of N-(2-cyanopropyl)-N-methyl-3-propoxybenzamide?
The InChIKey is HSINMZMMLJDHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-4-8-19-14-7-5-6-13(9-14)15(18)17(3)11-12(2)10-16/h5-7,9,12H,4,8,11H2,1-3H3.
What are the key properties of N-(2-cyanopropyl)-N-methyl-3-propoxybenzamide?
N-(2-cyanopropyl)-N-methyl-3-propoxybenzamide has a molecular weight of 260.34 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-N-methyl-3-propoxybenzamide is sourced from PubChem (CID 55124980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).