N-(2-cyanoethyl)-N-(oxan-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C19H24N2O2 — CID 56784305

IUPACN-(2-cyanoethyl)-N-(oxan-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESN#CCCN(C(=O)c1ccc2c(c1)CCCC2)C1CCOCC1
InChIInChI=1S/C19H24N2O2/c20-10-3-11-21(18-8-12-23-13-9-18)19(22)17-7-6-15-4-1-2-5-16(15)14-17/h6-7,14,18H,1-5,8-9,11-13H2
InChIKeyOAGAMPCOSHVLKE-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.10
Rot. Bonds4

About N-(2-cyanoethyl)-N-(oxan-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide

N-(2-cyanoethyl)-N-(oxan-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 56784305) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-(oxan-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-(oxan-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID56784305
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC NameN-(2-cyanoethyl)-N-(oxan-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESN#CCCN(C(=O)c1ccc2c(c1)CCCC2)C1CCOCC1
InChIInChI=1S/C19H24N2O2/c20-10-3-11-21(18-8-12-23-13-9-18)19(22)17-7-6-15-4-1-2-5-16(15)14-17/h6-7,14,18H,1-5,8-9,11-13H2
InChIKeyOAGAMPCOSHVLKE-UHFFFAOYSA-N
XLogP3.10
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanoethyl)-N-cyclopropyl-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998615
N-(2-cyanoethyl)-N-(oxan-4-yl)-4-(phenylsulfamoyl)benzamide
CID 56534745
N-(2-cyanoethyl)-N-(oxan-4-yl)-3-piperidin-1-ylsulfonylbenzamide
CID 56534737
3-[cyclopropyl-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]amino]propanenitrile
CID 62036641
N-(2-cyanoethyl)-N-cyclopropyl-4-(dimethylamino)benzamide
CID 54997505
N-(2-cyanoethyl)-N-(2-methylpropyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 60699391
N-(2-cyanoethyl)-3-[(2,5-dichlorophenyl)sulfanylmethyl]-N-(oxan-4-yl)benzamide
CID 56572733
oxolan-3-yl(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 61272773
N-propyl-N-pyrrolidin-3-yl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 119529985
N-(2-cyanoethyl)-N-cyclopropyl-3-methoxy-4-methylbenzamide
CID 54982144
N-(2-cyanoethyl)-N-cyclopropyl-5-methylfuran-3-carboxamide
CID 114820604
N-(2-cyanoethyl)-N-cyclopropylpyridazine-4-carboxamide
CID 112702167

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-(oxan-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-N-(oxan-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 56784305) is N-(2-cyanoethyl)-N-(oxan-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-(oxan-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-N-(oxan-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide is N#CCCN(C(=O)c1ccc2c(c1)CCCC2)C1CCOCC1.
What is the InChIKey of N-(2-cyanoethyl)-N-(oxan-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is OAGAMPCOSHVLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c20-10-3-11-21(18-8-12-23-13-9-18)19(22)17-7-6-15-4-1-2-5-16(15)14-17/h6-7,14,18H,1-5,8-9,11-13H2.
What are the key properties of N-(2-cyanoethyl)-N-(oxan-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
N-(2-cyanoethyl)-N-(oxan-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 312.41 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-(oxan-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 56784305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).