N-butan-2-yl-N-butylcyclohexanecarboxamide

C15H29NO — CID 78858446

IUPACN-butan-2-yl-N-butylcyclohexanecarboxamide
SMILESCCCCN(C(=O)C1CCCCC1)C(C)CC
InChIInChI=1S/C15H29NO/c1-4-6-12-16(13(3)5-2)15(17)14-10-8-7-9-11-14/h13-14H,4-12H2,1-3H3
InChIKeyWVRBPMIGZGQKML-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.99
Rot. Bonds6

About N-butan-2-yl-N-butylcyclohexanecarboxamide

N-butan-2-yl-N-butylcyclohexanecarboxamide (PubChem CID 78858446) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N-butan-2-yl-N-butylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-butan-2-yl-N-butylcyclohexanecarboxamide
PubChem CID78858446
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN-butan-2-yl-N-butylcyclohexanecarboxamide
SMILESCCCCN(C(=O)C1CCCCC1)C(C)CC
InChIInChI=1S/C15H29NO/c1-4-6-12-16(13(3)5-2)15(17)14-10-8-7-9-11-14/h13-14H,4-12H2,1-3H3
InChIKeyWVRBPMIGZGQKML-UHFFFAOYSA-N
XLogP3.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-butylcyclohexanecarboxamide?
The IUPAC name of N-butan-2-yl-N-butylcyclohexanecarboxamide (CID 78858446) is N-butan-2-yl-N-butylcyclohexanecarboxamide.
What is the SMILES notation for N-butan-2-yl-N-butylcyclohexanecarboxamide?
The canonical SMILES for N-butan-2-yl-N-butylcyclohexanecarboxamide is CCCCN(C(=O)C1CCCCC1)C(C)CC.
What is the InChIKey of N-butan-2-yl-N-butylcyclohexanecarboxamide?
The InChIKey is WVRBPMIGZGQKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-4-6-12-16(13(3)5-2)15(17)14-10-8-7-9-11-14/h13-14H,4-12H2,1-3H3.
What are the key properties of N-butan-2-yl-N-butylcyclohexanecarboxamide?
N-butan-2-yl-N-butylcyclohexanecarboxamide has a molecular weight of 239.40 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-butylcyclohexanecarboxamide is sourced from PubChem (CID 78858446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).