4,4,5,6,7,8-hexamethyl-2,3-dihydro-1H-naphthalene-1,2-dicarboxamide

C18H26N2O2 — CID 175440164

IUPAC4,4,5,6,7,8-hexamethyl-2,3-dihydro-1H-naphthalene-1,2-dicarboxamide
SMILESCc1c(C)c(C)c2c(c1C)C(C(N)=O)C(C(N)=O)CC2(C)C
InChIInChI=1S/C18H26N2O2/c1-8-9(2)11(4)15-13(10(8)3)14(17(20)22)12(16(19)21)7-18(15,5)6/h12,14H,7H2,1-6H3,(H2,19,21)(H2,20,22)
InChIKeyNWBPVOXRFAKONX-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.27
Rot. Bonds2

About 4,4,5,6,7,8-hexamethyl-2,3-dihydro-1H-naphthalene-1,2-dicarboxamide

4,4,5,6,7,8-hexamethyl-2,3-dihydro-1H-naphthalene-1,2-dicarboxamide (PubChem CID 175440164) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 4,4,5,6,7,8-hexamethyl-2,3-dihydro-1H-naphthalene-1,2-dicarboxamide.

Molecular Properties

Compound Name4,4,5,6,7,8-hexamethyl-2,3-dihydro-1H-naphthalene-1,2-dicarboxamide
PubChem CID175440164
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name4,4,5,6,7,8-hexamethyl-2,3-dihydro-1H-naphthalene-1,2-dicarboxamide
SMILESCc1c(C)c(C)c2c(c1C)C(C(N)=O)C(C(N)=O)CC2(C)C
InChIInChI=1S/C18H26N2O2/c1-8-9(2)11(4)15-13(10(8)3)14(17(20)22)12(16(19)21)7-18(15,5)6/h12,14H,7H2,1-6H3,(H2,19,21)(H2,20,22)
InChIKeyNWBPVOXRFAKONX-UHFFFAOYSA-N
XLogP2.27
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,5,6,7,8-hexamethyl-2,3-dihydro-1H-naphthalene-1,2-dicarboxamide?
The IUPAC name of 4,4,5,6,7,8-hexamethyl-2,3-dihydro-1H-naphthalene-1,2-dicarboxamide (CID 175440164) is 4,4,5,6,7,8-hexamethyl-2,3-dihydro-1H-naphthalene-1,2-dicarboxamide.
What is the SMILES notation for 4,4,5,6,7,8-hexamethyl-2,3-dihydro-1H-naphthalene-1,2-dicarboxamide?
The canonical SMILES for 4,4,5,6,7,8-hexamethyl-2,3-dihydro-1H-naphthalene-1,2-dicarboxamide is Cc1c(C)c(C)c2c(c1C)C(C(N)=O)C(C(N)=O)CC2(C)C.
What is the InChIKey of 4,4,5,6,7,8-hexamethyl-2,3-dihydro-1H-naphthalene-1,2-dicarboxamide?
The InChIKey is NWBPVOXRFAKONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-8-9(2)11(4)15-13(10(8)3)14(17(20)22)12(16(19)21)7-18(15,5)6/h12,14H,7H2,1-6H3,(H2,19,21)(H2,20,22).
What are the key properties of 4,4,5,6,7,8-hexamethyl-2,3-dihydro-1H-naphthalene-1,2-dicarboxamide?
4,4,5,6,7,8-hexamethyl-2,3-dihydro-1H-naphthalene-1,2-dicarboxamide has a molecular weight of 302.42 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,6,7,8-hexamethyl-2,3-dihydro-1H-naphthalene-1,2-dicarboxamide is sourced from PubChem (CID 175440164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).