N-(cyanomethyl)-2,3,4-trimethoxy-N-propylbenzamide

C15H20N2O4 — CID 61226258

IUPACN-(cyanomethyl)-2,3,4-trimethoxy-N-propylbenzamide
SMILESCCCN(CC#N)C(=O)c1ccc(OC)c(OC)c1OC
InChIInChI=1S/C15H20N2O4/c1-5-9-17(10-8-16)15(18)11-6-7-12(19-2)14(21-4)13(11)20-3/h6-7H,5,9-10H2,1-4H3
InChIKeyRPNAUGQDPVXSEF-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.09
Rot. Bonds7

About N-(cyanomethyl)-2,3,4-trimethoxy-N-propylbenzamide

N-(cyanomethyl)-2,3,4-trimethoxy-N-propylbenzamide (PubChem CID 61226258) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-(cyanomethyl)-2,3,4-trimethoxy-N-propylbenzamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2,3,4-trimethoxy-N-propylbenzamide
PubChem CID61226258
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC NameN-(cyanomethyl)-2,3,4-trimethoxy-N-propylbenzamide
SMILESCCCN(CC#N)C(=O)c1ccc(OC)c(OC)c1OC
InChIInChI=1S/C15H20N2O4/c1-5-9-17(10-8-16)15(18)11-6-7-12(19-2)14(21-4)13(11)20-3/h6-7H,5,9-10H2,1-4H3
InChIKeyRPNAUGQDPVXSEF-UHFFFAOYSA-N
XLogP2.09
TPSA71.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyanoethyl)-2,3,4-trimethoxybenzamide
CID 55023434
N-(cyanomethyl)-4-hydroxy-2-methyl-N-propylbenzamide
CID 113341373
N-(cyanomethyl)-2-(3,4-dimethoxyphenyl)-N-propylacetamide
CID 61381684
N-(3-cyanopropyl)-2,3,4-trimethoxybenzamide
CID 62667011
4-chloro-N-(cyanomethyl)-2-fluoro-N-propylbenzamide
CID 61227255
N-(2-hydroxyethyl)-2,3,4-trimethoxy-N-methylbenzamide
CID 60652690
4-bromo-N,N-bis(cyanomethyl)-2-methoxybenzamide
CID 113296051
2-chloro-N-(cyanomethyl)-5-hydroxy-N-propylbenzamide
CID 106500989
2-methoxy-5-methyl-N,N-dipropylbenzamide
CID 110761077
N-(1-aminopropan-2-yl)-2,3,4-trimethoxy-N-methylbenzamide
CID 104556591
N-(cyanomethyl)-3-hydroxy-N-propylpyridine-4-carboxamide
CID 81446513
N,N-bis(cyanomethyl)-3,4-dimethoxybenzamide
CID 669334

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2,3,4-trimethoxy-N-propylbenzamide?
The IUPAC name of N-(cyanomethyl)-2,3,4-trimethoxy-N-propylbenzamide (CID 61226258) is N-(cyanomethyl)-2,3,4-trimethoxy-N-propylbenzamide.
What is the SMILES notation for N-(cyanomethyl)-2,3,4-trimethoxy-N-propylbenzamide?
The canonical SMILES for N-(cyanomethyl)-2,3,4-trimethoxy-N-propylbenzamide is CCCN(CC#N)C(=O)c1ccc(OC)c(OC)c1OC.
What is the InChIKey of N-(cyanomethyl)-2,3,4-trimethoxy-N-propylbenzamide?
The InChIKey is RPNAUGQDPVXSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-5-9-17(10-8-16)15(18)11-6-7-12(19-2)14(21-4)13(11)20-3/h6-7H,5,9-10H2,1-4H3.
What are the key properties of N-(cyanomethyl)-2,3,4-trimethoxy-N-propylbenzamide?
N-(cyanomethyl)-2,3,4-trimethoxy-N-propylbenzamide has a molecular weight of 292.34 g/mol, XLogP of 2.09, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2,3,4-trimethoxy-N-propylbenzamide is sourced from PubChem (CID 61226258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).