(E)-N-(3,4,5,6,7,8-hexahydronaphthalen-1-yl)-2-methyl-5-(methylamino)hept-4-enamide

C19H30N2O — CID 71040556

IUPAC(E)-N-(3,4,5,6,7,8-hexahydronaphthalen-1-yl)-2-methyl-5-(methylamino)hept-4-enamide
SMILESCC/C(=C\CC(C)C(=O)NC1=CCCC2=C1CCCC2)NC
InChIInChI=1S/C19H30N2O/c1-4-16(20-3)13-12-14(2)19(22)21-18-11-7-9-15-8-5-6-10-17(15)18/h11,13-14,20H,4-10,12H2,1-3H3,(H,21,22)/b16-13+
InChIKeyQXRPDEKSDZAEJZ-DTQAZKPQSA-N
MW302.46 g/mol
LogP4.19
Rot. Bonds6

About (E)-N-(3,4,5,6,7,8-hexahydronaphthalen-1-yl)-2-methyl-5-(methylamino)hept-4-enamide

(E)-N-(3,4,5,6,7,8-hexahydronaphthalen-1-yl)-2-methyl-5-(methylamino)hept-4-enamide (PubChem CID 71040556) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is (E)-N-(3,4,5,6,7,8-hexahydronaphthalen-1-yl)-2-methyl-5-(methylamino)hept-4-enamide.

Molecular Properties

Compound Name(E)-N-(3,4,5,6,7,8-hexahydronaphthalen-1-yl)-2-methyl-5-(methylamino)hept-4-enamide
PubChem CID71040556
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name(E)-N-(3,4,5,6,7,8-hexahydronaphthalen-1-yl)-2-methyl-5-(methylamino)hept-4-enamide
SMILESCC/C(=C\CC(C)C(=O)NC1=CCCC2=C1CCCC2)NC
InChIInChI=1S/C19H30N2O/c1-4-16(20-3)13-12-14(2)19(22)21-18-11-7-9-15-8-5-6-10-17(15)18/h11,13-14,20H,4-10,12H2,1-3H3,(H,21,22)/b16-13+
InChIKeyQXRPDEKSDZAEJZ-DTQAZKPQSA-N
XLogP4.19
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(3,4,5,6,7,8-hexahydronaphthalen-1-yl)-2-methyl-5-(methylamino)hept-4-enamide?
The IUPAC name of (E)-N-(3,4,5,6,7,8-hexahydronaphthalen-1-yl)-2-methyl-5-(methylamino)hept-4-enamide (CID 71040556) is (E)-N-(3,4,5,6,7,8-hexahydronaphthalen-1-yl)-2-methyl-5-(methylamino)hept-4-enamide.
What is the SMILES notation for (E)-N-(3,4,5,6,7,8-hexahydronaphthalen-1-yl)-2-methyl-5-(methylamino)hept-4-enamide?
The canonical SMILES for (E)-N-(3,4,5,6,7,8-hexahydronaphthalen-1-yl)-2-methyl-5-(methylamino)hept-4-enamide is CC/C(=C\CC(C)C(=O)NC1=CCCC2=C1CCCC2)NC.
What is the InChIKey of (E)-N-(3,4,5,6,7,8-hexahydronaphthalen-1-yl)-2-methyl-5-(methylamino)hept-4-enamide?
The InChIKey is QXRPDEKSDZAEJZ-DTQAZKPQSA-N. The full InChI is InChI=1S/C19H30N2O/c1-4-16(20-3)13-12-14(2)19(22)21-18-11-7-9-15-8-5-6-10-17(15)18/h11,13-14,20H,4-10,12H2,1-3H3,(H,21,22)/b16-13+.
What are the key properties of (E)-N-(3,4,5,6,7,8-hexahydronaphthalen-1-yl)-2-methyl-5-(methylamino)hept-4-enamide?
(E)-N-(3,4,5,6,7,8-hexahydronaphthalen-1-yl)-2-methyl-5-(methylamino)hept-4-enamide has a molecular weight of 302.46 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3,4,5,6,7,8-hexahydronaphthalen-1-yl)-2-methyl-5-(methylamino)hept-4-enamide is sourced from PubChem (CID 71040556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).