N-[5-(butanoylamino)-3,3-di(butan-2-yl)cyclohexyl]butanamide

C22H42N2O2 — CID 23292742

IUPACN-[5-(butanoylamino)-3,3-di(butan-2-yl)cyclohexyl]butanamide
SMILESCCCC(=O)NC1CC(NC(=O)CCC)CC(C(C)CC)(C(C)CC)C1
InChIInChI=1S/C22H42N2O2/c1-7-11-20(25)23-18-13-19(24-21(26)12-8-2)15-22(14-18,16(5)9-3)17(6)10-4/h16-19H,7-15H2,1-6H3,(H,23,25)(H,24,26)
InChIKeyAJQNIKRRIDLYBF-UHFFFAOYSA-N
MW366.59 g/mol
LogP4.82
Rot. Bonds10

About N-[5-(butanoylamino)-3,3-di(butan-2-yl)cyclohexyl]butanamide

N-[5-(butanoylamino)-3,3-di(butan-2-yl)cyclohexyl]butanamide (PubChem CID 23292742) has the molecular formula C22H42N2O2 and a molecular weight of 366.59 g/mol. Its IUPAC name is N-[5-(butanoylamino)-3,3-di(butan-2-yl)cyclohexyl]butanamide.

Molecular Properties

Compound NameN-[5-(butanoylamino)-3,3-di(butan-2-yl)cyclohexyl]butanamide
PubChem CID23292742
Molecular FormulaC22H42N2O2
Molecular Weight366.59 g/mol
Exact Mass366.32
IUPAC NameN-[5-(butanoylamino)-3,3-di(butan-2-yl)cyclohexyl]butanamide
SMILESCCCC(=O)NC1CC(NC(=O)CCC)CC(C(C)CC)(C(C)CC)C1
InChIInChI=1S/C22H42N2O2/c1-7-11-20(25)23-18-13-19(24-21(26)12-8-2)15-22(14-18,16(5)9-3)17(6)10-4/h16-19H,7-15H2,1-6H3,(H,23,25)(H,24,26)
InChIKeyAJQNIKRRIDLYBF-UHFFFAOYSA-N
XLogP4.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.59
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[5-(butanoylamino)-3,3-di(butan-2-yl)cyclohexyl]butanamide?
The IUPAC name of N-[5-(butanoylamino)-3,3-di(butan-2-yl)cyclohexyl]butanamide (CID 23292742) is N-[5-(butanoylamino)-3,3-di(butan-2-yl)cyclohexyl]butanamide.
What is the SMILES notation for N-[5-(butanoylamino)-3,3-di(butan-2-yl)cyclohexyl]butanamide?
The canonical SMILES for N-[5-(butanoylamino)-3,3-di(butan-2-yl)cyclohexyl]butanamide is CCCC(=O)NC1CC(NC(=O)CCC)CC(C(C)CC)(C(C)CC)C1.
What is the InChIKey of N-[5-(butanoylamino)-3,3-di(butan-2-yl)cyclohexyl]butanamide?
The InChIKey is AJQNIKRRIDLYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N2O2/c1-7-11-20(25)23-18-13-19(24-21(26)12-8-2)15-22(14-18,16(5)9-3)17(6)10-4/h16-19H,7-15H2,1-6H3,(H,23,25)(H,24,26).
What are the key properties of N-[5-(butanoylamino)-3,3-di(butan-2-yl)cyclohexyl]butanamide?
N-[5-(butanoylamino)-3,3-di(butan-2-yl)cyclohexyl]butanamide has a molecular weight of 366.59 g/mol, XLogP of 4.82, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(butanoylamino)-3,3-di(butan-2-yl)cyclohexyl]butanamide is sourced from PubChem (CID 23292742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).