N-(2-cyanopropyl)-2,6-dimethoxy-N-methylbenzamide

C14H18N2O3 — CID 54990731

IUPACN-(2-cyanopropyl)-2,6-dimethoxy-N-methylbenzamide
SMILESCOc1cccc(OC)c1C(=O)N(C)CC(C)C#N
InChIInChI=1S/C14H18N2O3/c1-10(8-15)9-16(2)14(17)13-11(18-3)6-5-7-12(13)19-4/h5-7,10H,9H2,1-4H3
InChIKeyGAZODBMAMQRVLX-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.94
Rot. Bonds5

About N-(2-cyanopropyl)-2,6-dimethoxy-N-methylbenzamide

N-(2-cyanopropyl)-2,6-dimethoxy-N-methylbenzamide (PubChem CID 54990731) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-(2-cyanopropyl)-2,6-dimethoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-2,6-dimethoxy-N-methylbenzamide
PubChem CID54990731
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-(2-cyanopropyl)-2,6-dimethoxy-N-methylbenzamide
SMILESCOc1cccc(OC)c1C(=O)N(C)CC(C)C#N
InChIInChI=1S/C14H18N2O3/c1-10(8-15)9-16(2)14(17)13-11(18-3)6-5-7-12(13)19-4/h5-7,10H,9H2,1-4H3
InChIKeyGAZODBMAMQRVLX-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanopropyl)-N,2,6-trimethylbenzamide
CID 113258335
N-(2-cyanopropyl)-2,4,5-trimethoxy-N-methylbenzamide
CID 47861546
5-chloro-N-(2-cyanopropyl)-2-methoxy-N-methylbenzamide
CID 47402460
N-(2-chloro-3-methoxypropyl)-2,6-dimethoxy-N-methylbenzamide
CID 63397918
N-(2-cyanopropyl)-N-methyl-3-propan-2-yloxybenzamide
CID 62919125
N-(2-cyanopropyl)-3-hydroxy-N,2-dimethylbenzamide
CID 82829304
6-amino-N-(2-cyanopropyl)-N-methylpyridine-2-carboxamide
CID 62238981
N-(2-cyanopropyl)-2-hydroxy-4-methoxy-N-methylbenzamide
CID 47402310
2-bromo-N-(2-cyanopropyl)-N-methylbenzamide
CID 55021092
N-(2-cyanopropyl)-4-methoxy-N-methylthiophene-2-carboxamide
CID 79467466
4-cyano-N-(2-cyanopropyl)-N-methylbenzamide
CID 47205390
N-(2-cyanopropyl)-N-methyl-3-propoxybenzamide
CID 55124980

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-2,6-dimethoxy-N-methylbenzamide?
The IUPAC name of N-(2-cyanopropyl)-2,6-dimethoxy-N-methylbenzamide (CID 54990731) is N-(2-cyanopropyl)-2,6-dimethoxy-N-methylbenzamide.
What is the SMILES notation for N-(2-cyanopropyl)-2,6-dimethoxy-N-methylbenzamide?
The canonical SMILES for N-(2-cyanopropyl)-2,6-dimethoxy-N-methylbenzamide is COc1cccc(OC)c1C(=O)N(C)CC(C)C#N.
What is the InChIKey of N-(2-cyanopropyl)-2,6-dimethoxy-N-methylbenzamide?
The InChIKey is GAZODBMAMQRVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-10(8-15)9-16(2)14(17)13-11(18-3)6-5-7-12(13)19-4/h5-7,10H,9H2,1-4H3.
What are the key properties of N-(2-cyanopropyl)-2,6-dimethoxy-N-methylbenzamide?
N-(2-cyanopropyl)-2,6-dimethoxy-N-methylbenzamide has a molecular weight of 262.31 g/mol, XLogP of 1.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-2,6-dimethoxy-N-methylbenzamide is sourced from PubChem (CID 54990731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).