4-(butanoylamino)-N,N-di(butan-2-yl)butanamide

C16H32N2O2 — CID 3067791

IUPAC4-(butanoylamino)-N,N-di(butan-2-yl)butanamide
SMILESCCCC(=O)NCCCC(=O)N(C(C)CC)C(C)CC
InChIInChI=1S/C16H32N2O2/c1-6-10-15(19)17-12-9-11-16(20)18(13(4)7-2)14(5)8-3/h13-14H,6-12H2,1-5H3,(H,17,19)
InChIKeyJXYPYSQAEGBVMS-UHFFFAOYSA-N
MW284.44 g/mol
LogP3.11
Rot. Bonds10

About 4-(butanoylamino)-N,N-di(butan-2-yl)butanamide

4-(butanoylamino)-N,N-di(butan-2-yl)butanamide (PubChem CID 3067791) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 4-(butanoylamino)-N,N-di(butan-2-yl)butanamide.

Molecular Properties

Compound Name4-(butanoylamino)-N,N-di(butan-2-yl)butanamide
PubChem CID3067791
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name4-(butanoylamino)-N,N-di(butan-2-yl)butanamide
SMILESCCCC(=O)NCCCC(=O)N(C(C)CC)C(C)CC
InChIInChI=1S/C16H32N2O2/c1-6-10-15(19)17-12-9-11-16(20)18(13(4)7-2)14(5)8-3/h13-14H,6-12H2,1-5H3,(H,17,19)
InChIKeyJXYPYSQAEGBVMS-UHFFFAOYSA-N
XLogP3.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 53.11
H-Bond Donors ≤ 51
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 4-(butanoylamino)-N,N-di(butan-2-yl)butanamide?
The IUPAC name of 4-(butanoylamino)-N,N-di(butan-2-yl)butanamide (CID 3067791) is 4-(butanoylamino)-N,N-di(butan-2-yl)butanamide.
What is the SMILES notation for 4-(butanoylamino)-N,N-di(butan-2-yl)butanamide?
The canonical SMILES for 4-(butanoylamino)-N,N-di(butan-2-yl)butanamide is CCCC(=O)NCCCC(=O)N(C(C)CC)C(C)CC.
What is the InChIKey of 4-(butanoylamino)-N,N-di(butan-2-yl)butanamide?
The InChIKey is JXYPYSQAEGBVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-6-10-15(19)17-12-9-11-16(20)18(13(4)7-2)14(5)8-3/h13-14H,6-12H2,1-5H3,(H,17,19).
What are the key properties of 4-(butanoylamino)-N,N-di(butan-2-yl)butanamide?
4-(butanoylamino)-N,N-di(butan-2-yl)butanamide has a molecular weight of 284.44 g/mol, XLogP of 3.11, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butanoylamino)-N,N-di(butan-2-yl)butanamide is sourced from PubChem (CID 3067791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).