N,N'-dicyclohexyl-N,N'-dinaphthalen-2-ylbutanediamide

C36H40N2O2 — CID 27191176

IUPACN,N'-dicyclohexyl-N,N'-dinaphthalen-2-ylbutanediamide
SMILESO=C(CCC(=O)N(c1ccc2ccccc2c1)C1CCCCC1)N(c1ccc2ccccc2c1)C1CCCCC1
InChIInChI=1S/C36H40N2O2/c39-35(37(31-15-3-1-4-16-31)33-21-19-27-11-7-9-13-29(27)25-33)23-24-36(40)38(32-17-5-2-6-18-32)34-22-20-28-12-8-10-14-30(28)26-34/h7-14,19-22,25-26,31-32H,1-6,15-18,23-24H2
InChIKeyKKZIQVPYDBMHPA-UHFFFAOYSA-N
MW532.73 g/mol
LogP8.80
Rot. Bonds7

About N,N'-dicyclohexyl-N,N'-dinaphthalen-2-ylbutanediamide

N,N'-dicyclohexyl-N,N'-dinaphthalen-2-ylbutanediamide (PubChem CID 27191176) has the molecular formula C36H40N2O2 and a molecular weight of 532.73 g/mol. Its IUPAC name is N,N'-dicyclohexyl-N,N'-dinaphthalen-2-ylbutanediamide.

Molecular Properties

Compound NameN,N'-dicyclohexyl-N,N'-dinaphthalen-2-ylbutanediamide
PubChem CID27191176
Molecular FormulaC36H40N2O2
Molecular Weight532.73 g/mol
Exact Mass532.31
IUPAC NameN,N'-dicyclohexyl-N,N'-dinaphthalen-2-ylbutanediamide
SMILESO=C(CCC(=O)N(c1ccc2ccccc2c1)C1CCCCC1)N(c1ccc2ccccc2c1)C1CCCCC1
InChIInChI=1S/C36H40N2O2/c39-35(37(31-15-3-1-4-16-31)33-21-19-27-11-7-9-13-29(27)25-33)23-24-36(40)38(32-17-5-2-6-18-32)34-22-20-28-12-8-10-14-30(28)26-34/h7-14,19-22,25-26,31-32H,1-6,15-18,23-24H2
InChIKeyKKZIQVPYDBMHPA-UHFFFAOYSA-N
XLogP8.80
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.73
LogP ≤ 58.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N'-dicyclohexyl-N,N'-dinaphthalen-2-ylbutanediamide?
The IUPAC name of N,N'-dicyclohexyl-N,N'-dinaphthalen-2-ylbutanediamide (CID 27191176) is N,N'-dicyclohexyl-N,N'-dinaphthalen-2-ylbutanediamide.
What is the SMILES notation for N,N'-dicyclohexyl-N,N'-dinaphthalen-2-ylbutanediamide?
The canonical SMILES for N,N'-dicyclohexyl-N,N'-dinaphthalen-2-ylbutanediamide is O=C(CCC(=O)N(c1ccc2ccccc2c1)C1CCCCC1)N(c1ccc2ccccc2c1)C1CCCCC1.
What is the InChIKey of N,N'-dicyclohexyl-N,N'-dinaphthalen-2-ylbutanediamide?
The InChIKey is KKZIQVPYDBMHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H40N2O2/c39-35(37(31-15-3-1-4-16-31)33-21-19-27-11-7-9-13-29(27)25-33)23-24-36(40)38(32-17-5-2-6-18-32)34-22-20-28-12-8-10-14-30(28)26-34/h7-14,19-22,25-26,31-32H,1-6,15-18,23-24H2.
What are the key properties of N,N'-dicyclohexyl-N,N'-dinaphthalen-2-ylbutanediamide?
N,N'-dicyclohexyl-N,N'-dinaphthalen-2-ylbutanediamide has a molecular weight of 532.73 g/mol, XLogP of 8.80, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dicyclohexyl-N,N'-dinaphthalen-2-ylbutanediamide is sourced from PubChem (CID 27191176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).