N,N'-dicyclohexyl-N,N'-di(propan-2-yl)dodecanediamide

C30H56N2O2 — CID 20752266

IUPACN,N'-dicyclohexyl-N,N'-di(propan-2-yl)dodecanediamide
SMILESCC(C)N(C(=O)CCCCCCCCCCC(=O)N(C(C)C)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C30H56N2O2/c1-25(2)31(27-19-13-11-14-20-27)29(33)23-17-9-7-5-6-8-10-18-24-30(34)32(26(3)4)28-21-15-12-16-22-28/h25-28H,5-24H2,1-4H3
InChIKeyWIMBNNLQEZYCEI-UHFFFAOYSA-N
MW476.79 g/mol
LogP8.03
Rot. Bonds15

About N,N'-dicyclohexyl-N,N'-di(propan-2-yl)dodecanediamide

N,N'-dicyclohexyl-N,N'-di(propan-2-yl)dodecanediamide (PubChem CID 20752266) has the molecular formula C30H56N2O2 and a molecular weight of 476.79 g/mol. Its IUPAC name is N,N'-dicyclohexyl-N,N'-di(propan-2-yl)dodecanediamide.

Molecular Properties

Compound NameN,N'-dicyclohexyl-N,N'-di(propan-2-yl)dodecanediamide
PubChem CID20752266
Molecular FormulaC30H56N2O2
Molecular Weight476.79 g/mol
Exact Mass476.43
IUPAC NameN,N'-dicyclohexyl-N,N'-di(propan-2-yl)dodecanediamide
SMILESCC(C)N(C(=O)CCCCCCCCCCC(=O)N(C(C)C)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C30H56N2O2/c1-25(2)31(27-19-13-11-14-20-27)29(33)23-17-9-7-5-6-8-10-18-24-30(34)32(26(3)4)28-21-15-12-16-22-28/h25-28H,5-24H2,1-4H3
InChIKeyWIMBNNLQEZYCEI-UHFFFAOYSA-N
XLogP8.03
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.79
LogP ≤ 58.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-dicyclohexyl-N,N'-di(propan-2-yl)dodecanediamide?
The IUPAC name of N,N'-dicyclohexyl-N,N'-di(propan-2-yl)dodecanediamide (CID 20752266) is N,N'-dicyclohexyl-N,N'-di(propan-2-yl)dodecanediamide.
What is the SMILES notation for N,N'-dicyclohexyl-N,N'-di(propan-2-yl)dodecanediamide?
The canonical SMILES for N,N'-dicyclohexyl-N,N'-di(propan-2-yl)dodecanediamide is CC(C)N(C(=O)CCCCCCCCCCC(=O)N(C(C)C)C1CCCCC1)C1CCCCC1.
What is the InChIKey of N,N'-dicyclohexyl-N,N'-di(propan-2-yl)dodecanediamide?
The InChIKey is WIMBNNLQEZYCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H56N2O2/c1-25(2)31(27-19-13-11-14-20-27)29(33)23-17-9-7-5-6-8-10-18-24-30(34)32(26(3)4)28-21-15-12-16-22-28/h25-28H,5-24H2,1-4H3.
What are the key properties of N,N'-dicyclohexyl-N,N'-di(propan-2-yl)dodecanediamide?
N,N'-dicyclohexyl-N,N'-di(propan-2-yl)dodecanediamide has a molecular weight of 476.79 g/mol, XLogP of 8.03, 15 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'-di(propan-2-yl)dodecanediamide is sourced from PubChem (CID 20752266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).