N-(2-cyanopropyl)-N-methyl-3-propan-2-yloxybenzamide

C15H20N2O2 — CID 62919125

IUPACN-(2-cyanopropyl)-N-methyl-3-propan-2-yloxybenzamide
SMILESCC(C#N)CN(C)C(=O)c1cccc(OC(C)C)c1
InChIInChI=1S/C15H20N2O2/c1-11(2)19-14-7-5-6-13(8-14)15(18)17(4)10-12(3)9-16/h5-8,11-12H,10H2,1-4H3
InChIKeyKRNCTBGFWGJDNK-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.71
Rot. Bonds5

About N-(2-cyanopropyl)-N-methyl-3-propan-2-yloxybenzamide

N-(2-cyanopropyl)-N-methyl-3-propan-2-yloxybenzamide (PubChem CID 62919125) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-(2-cyanopropyl)-N-methyl-3-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-N-methyl-3-propan-2-yloxybenzamide
PubChem CID62919125
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-(2-cyanopropyl)-N-methyl-3-propan-2-yloxybenzamide
SMILESCC(C#N)CN(C)C(=O)c1cccc(OC(C)C)c1
InChIInChI=1S/C15H20N2O2/c1-11(2)19-14-7-5-6-13(8-14)15(18)17(4)10-12(3)9-16/h5-8,11-12H,10H2,1-4H3
InChIKeyKRNCTBGFWGJDNK-UHFFFAOYSA-N
XLogP2.71
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
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-propoxybenzamide
CID 55124980
3-[(2-cyanophenyl)methoxy]-N-[(2S)-2-cyanopropyl]-N-methylbenzamide
CID 94783638
N-(2-cyanopropyl)-N-methylnaphthalene-2-carboxamide
CID 47205391
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methyl-3-propan-2-yloxybenzamide
CID 76977902
N-(2-cyanopropyl)-2,6-dimethoxy-N-methylbenzamide
CID 54990731
3-bromo-N-(2-cyanopropyl)-N,4-dimethylbenzamide
CID 79467465
4-amino-N-(2-cyanopropyl)-3-iodo-N-methylbenzamide
CID 112750818
N-(2-cyanopropyl)-N,2,6-trimethylbenzamide
CID 113258335
4-cyano-N-(2-cyanopropyl)-N-methylbenzamide
CID 47205390
N-(2-cyanopropyl)-2-fluoro-N-methylpyridine-4-carboxamide
CID 61293660
6-amino-N-(2-cyanopropyl)-N-methylpyridine-2-carboxamide
CID 62238981
3-amino-N-(2-cyanopropyl)-4-ethoxy-N-methylbenzamide
CID 61116071

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-N-methyl-3-propan-2-yloxybenzamide?
The IUPAC name of N-(2-cyanopropyl)-N-methyl-3-propan-2-yloxybenzamide (CID 62919125) is N-(2-cyanopropyl)-N-methyl-3-propan-2-yloxybenzamide.
What is the SMILES notation for N-(2-cyanopropyl)-N-methyl-3-propan-2-yloxybenzamide?
The canonical SMILES for N-(2-cyanopropyl)-N-methyl-3-propan-2-yloxybenzamide is CC(C#N)CN(C)C(=O)c1cccc(OC(C)C)c1.
What is the InChIKey of N-(2-cyanopropyl)-N-methyl-3-propan-2-yloxybenzamide?
The InChIKey is KRNCTBGFWGJDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11(2)19-14-7-5-6-13(8-14)15(18)17(4)10-12(3)9-16/h5-8,11-12H,10H2,1-4H3.
What are the key properties of N-(2-cyanopropyl)-N-methyl-3-propan-2-yloxybenzamide?
N-(2-cyanopropyl)-N-methyl-3-propan-2-yloxybenzamide has a molecular weight of 260.34 g/mol, XLogP of 2.71, 5 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-propan-2-yloxybenzamide is sourced from PubChem (CID 62919125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).