N,N'-dicyclohexyl-3-ethylpentanediamide

C19H34N2O2 — CID 4913495

IUPACN,N'-dicyclohexyl-3-ethylpentanediamide
SMILESCCC(CC(=O)NC1CCCCC1)CC(=O)NC1CCCCC1
InChIInChI=1S/C19H34N2O2/c1-2-15(13-18(22)20-16-9-5-3-6-10-16)14-19(23)21-17-11-7-4-8-12-17/h15-17H,2-14H2,1H3,(H,20,22)(H,21,23)
InChIKeyVWHLANVNTOSAND-UHFFFAOYSA-N
MW322.49 g/mol
LogP3.69
Rot. Bonds7

About N,N'-dicyclohexyl-3-ethylpentanediamide

N,N'-dicyclohexyl-3-ethylpentanediamide (PubChem CID 4913495) has the molecular formula C19H34N2O2 and a molecular weight of 322.49 g/mol. Its IUPAC name is N,N'-dicyclohexyl-3-ethylpentanediamide.

Molecular Properties

Compound NameN,N'-dicyclohexyl-3-ethylpentanediamide
PubChem CID4913495
Molecular FormulaC19H34N2O2
Molecular Weight322.49 g/mol
Exact Mass322.26
IUPAC NameN,N'-dicyclohexyl-3-ethylpentanediamide
SMILESCCC(CC(=O)NC1CCCCC1)CC(=O)NC1CCCCC1
InChIInChI=1S/C19H34N2O2/c1-2-15(13-18(22)20-16-9-5-3-6-10-16)14-19(23)21-17-11-7-4-8-12-17/h15-17H,2-14H2,1H3,(H,20,22)(H,21,23)
InChIKeyVWHLANVNTOSAND-UHFFFAOYSA-N
XLogP3.69
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N'-dicyclohexyl-3-ethylpentanediamide?
The IUPAC name of N,N'-dicyclohexyl-3-ethylpentanediamide (CID 4913495) is N,N'-dicyclohexyl-3-ethylpentanediamide.
What is the SMILES notation for N,N'-dicyclohexyl-3-ethylpentanediamide?
The canonical SMILES for N,N'-dicyclohexyl-3-ethylpentanediamide is CCC(CC(=O)NC1CCCCC1)CC(=O)NC1CCCCC1.
What is the InChIKey of N,N'-dicyclohexyl-3-ethylpentanediamide?
The InChIKey is VWHLANVNTOSAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O2/c1-2-15(13-18(22)20-16-9-5-3-6-10-16)14-19(23)21-17-11-7-4-8-12-17/h15-17H,2-14H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N,N'-dicyclohexyl-3-ethylpentanediamide?
N,N'-dicyclohexyl-3-ethylpentanediamide has a molecular weight of 322.49 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dicyclohexyl-3-ethylpentanediamide is sourced from PubChem (CID 4913495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).