2-N,6-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)naphthalene-2,6-dicarboxamide

C42H64N4O4 — CID 142858807

IUPAC2-N,6-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)naphthalene-2,6-dicarboxamide
SMILESCC1(C)CC(NC(=O)c2ccc3cc(C(=O)NC4CC(C)(C)N(OC5CCCCC5)C(C)(C)C4)ccc3c2)CC(C)(C)N1OC1CCCCC1
InChIInChI=1S/C42H64N4O4/c1-39(2)25-33(26-40(3,4)45(39)49-35-15-11-9-12-16-35)43-37(47)31-21-19-30-24-32(22-20-29(30)23-31)38(48)44-34-27-41(5,6)46(42(7,8)28-34)50-36-17-13-10-14-18-36/h19-24,33-36H,9-18,25-28H2,1-8H3,(H,43,47)(H,44,48)
InChIKeyBRZKPOBFBSQOHX-UHFFFAOYSA-N
MW689.00 g/mol
LogP8.87
Rot. Bonds8

About 2-N,6-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)naphthalene-2,6-dicarboxamide

2-N,6-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)naphthalene-2,6-dicarboxamide (PubChem CID 142858807) has the molecular formula C42H64N4O4 and a molecular weight of 689.00 g/mol. Its IUPAC name is 2-N,6-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)naphthalene-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N,6-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)naphthalene-2,6-dicarboxamide
PubChem CID142858807
Molecular FormulaC42H64N4O4
Molecular Weight689.00 g/mol
Exact Mass688.49
IUPAC Name2-N,6-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)naphthalene-2,6-dicarboxamide
SMILESCC1(C)CC(NC(=O)c2ccc3cc(C(=O)NC4CC(C)(C)N(OC5CCCCC5)C(C)(C)C4)ccc3c2)CC(C)(C)N1OC1CCCCC1
InChIInChI=1S/C42H64N4O4/c1-39(2)25-33(26-40(3,4)45(39)49-35-15-11-9-12-16-35)43-37(47)31-21-19-30-24-32(22-20-29(30)23-31)38(48)44-34-27-41(5,6)46(42(7,8)28-34)50-36-17-13-10-14-18-36/h19-24,33-36H,9-18,25-28H2,1-8H3,(H,43,47)(H,44,48)
InChIKeyBRZKPOBFBSQOHX-UHFFFAOYSA-N
XLogP8.87
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.00
LogP ≤ 58.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)naphthalene-2,6-dicarboxamide?
The IUPAC name of 2-N,6-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)naphthalene-2,6-dicarboxamide (CID 142858807) is 2-N,6-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)naphthalene-2,6-dicarboxamide.
What is the SMILES notation for 2-N,6-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)naphthalene-2,6-dicarboxamide?
The canonical SMILES for 2-N,6-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)naphthalene-2,6-dicarboxamide is CC1(C)CC(NC(=O)c2ccc3cc(C(=O)NC4CC(C)(C)N(OC5CCCCC5)C(C)(C)C4)ccc3c2)CC(C)(C)N1OC1CCCCC1.
What is the InChIKey of 2-N,6-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)naphthalene-2,6-dicarboxamide?
The InChIKey is BRZKPOBFBSQOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H64N4O4/c1-39(2)25-33(26-40(3,4)45(39)49-35-15-11-9-12-16-35)43-37(47)31-21-19-30-24-32(22-20-29(30)23-31)38(48)44-34-27-41(5,6)46(42(7,8)28-34)50-36-17-13-10-14-18-36/h19-24,33-36H,9-18,25-28H2,1-8H3,(H,43,47)(H,44,48).
What are the key properties of 2-N,6-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)naphthalene-2,6-dicarboxamide?
2-N,6-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)naphthalene-2,6-dicarboxamide has a molecular weight of 689.00 g/mol, XLogP of 8.87, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)naphthalene-2,6-dicarboxamide is sourced from PubChem (CID 142858807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).