N-(1-aminoethenyl)-5-(2-cyclopropylethyl)-2-[(4-methoxy-1-methylcyclohexyl)methyl]-N-methylbenzamide

C24H36N2O2 — CID 118592452

IUPACN-(1-aminoethenyl)-5-(2-cyclopropylethyl)-2-[(4-methoxy-1-methylcyclohexyl)methyl]-N-methylbenzamide
SMILESC=C(N)N(C)C(=O)c1cc(CCC2CC2)ccc1CC1(C)CCC(OC)CC1
InChIInChI=1S/C24H36N2O2/c1-17(25)26(3)23(27)22-15-19(8-7-18-5-6-18)9-10-20(22)16-24(2)13-11-21(28-4)12-14-24/h9-10,15,18,21H,1,5-8,11-14,16,25H2,2-4H3
InChIKeyTWNSQJNYPLMFRV-UHFFFAOYSA-N
MW384.56 g/mol
LogP4.67
Rot. Bonds8

About N-(1-aminoethenyl)-5-(2-cyclopropylethyl)-2-[(4-methoxy-1-methylcyclohexyl)methyl]-N-methylbenzamide

N-(1-aminoethenyl)-5-(2-cyclopropylethyl)-2-[(4-methoxy-1-methylcyclohexyl)methyl]-N-methylbenzamide (PubChem CID 118592452) has the molecular formula C24H36N2O2 and a molecular weight of 384.56 g/mol. Its IUPAC name is N-(1-aminoethenyl)-5-(2-cyclopropylethyl)-2-[(4-methoxy-1-methylcyclohexyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-(1-aminoethenyl)-5-(2-cyclopropylethyl)-2-[(4-methoxy-1-methylcyclohexyl)methyl]-N-methylbenzamide
PubChem CID118592452
Molecular FormulaC24H36N2O2
Molecular Weight384.56 g/mol
Exact Mass384.28
IUPAC NameN-(1-aminoethenyl)-5-(2-cyclopropylethyl)-2-[(4-methoxy-1-methylcyclohexyl)methyl]-N-methylbenzamide
SMILESC=C(N)N(C)C(=O)c1cc(CCC2CC2)ccc1CC1(C)CCC(OC)CC1
InChIInChI=1S/C24H36N2O2/c1-17(25)26(3)23(27)22-15-19(8-7-18-5-6-18)9-10-20(22)16-24(2)13-11-21(28-4)12-14-24/h9-10,15,18,21H,1,5-8,11-14,16,25H2,2-4H3
InChIKeyTWNSQJNYPLMFRV-UHFFFAOYSA-N
XLogP4.67
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.56
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-aminoethenyl)-5-(2-cyclopropylethyl)-2-[(4-methoxy-1-methylcyclohexyl)methyl]-N-methylbenzamide?
The IUPAC name of N-(1-aminoethenyl)-5-(2-cyclopropylethyl)-2-[(4-methoxy-1-methylcyclohexyl)methyl]-N-methylbenzamide (CID 118592452) is N-(1-aminoethenyl)-5-(2-cyclopropylethyl)-2-[(4-methoxy-1-methylcyclohexyl)methyl]-N-methylbenzamide.
What is the SMILES notation for N-(1-aminoethenyl)-5-(2-cyclopropylethyl)-2-[(4-methoxy-1-methylcyclohexyl)methyl]-N-methylbenzamide?
The canonical SMILES for N-(1-aminoethenyl)-5-(2-cyclopropylethyl)-2-[(4-methoxy-1-methylcyclohexyl)methyl]-N-methylbenzamide is C=C(N)N(C)C(=O)c1cc(CCC2CC2)ccc1CC1(C)CCC(OC)CC1.
What is the InChIKey of N-(1-aminoethenyl)-5-(2-cyclopropylethyl)-2-[(4-methoxy-1-methylcyclohexyl)methyl]-N-methylbenzamide?
The InChIKey is TWNSQJNYPLMFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O2/c1-17(25)26(3)23(27)22-15-19(8-7-18-5-6-18)9-10-20(22)16-24(2)13-11-21(28-4)12-14-24/h9-10,15,18,21H,1,5-8,11-14,16,25H2,2-4H3.
What are the key properties of N-(1-aminoethenyl)-5-(2-cyclopropylethyl)-2-[(4-methoxy-1-methylcyclohexyl)methyl]-N-methylbenzamide?
N-(1-aminoethenyl)-5-(2-cyclopropylethyl)-2-[(4-methoxy-1-methylcyclohexyl)methyl]-N-methylbenzamide has a molecular weight of 384.56 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminoethenyl)-5-(2-cyclopropylethyl)-2-[(4-methoxy-1-methylcyclohexyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 118592452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).