N-[4-(butanoylamino)butyl]butanamide

C12H24N2O2 — CID 2166864

IUPACN-[4-(butanoylamino)butyl]butanamide
SMILESCCCC(=O)NCCCCNC(=O)CCC
InChIInChI=1S/C12H24N2O2/c1-3-7-11(15)13-9-5-6-10-14-12(16)8-4-2/h3-10H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyMWJWOBJZDCOSGI-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.60
Rot. Bonds9

About N-[4-(butanoylamino)butyl]butanamide

N-[4-(butanoylamino)butyl]butanamide (PubChem CID 2166864) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-[4-(butanoylamino)butyl]butanamide.

Molecular Properties

Compound NameN-[4-(butanoylamino)butyl]butanamide
PubChem CID2166864
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-[4-(butanoylamino)butyl]butanamide
SMILESCCCC(=O)NCCCCNC(=O)CCC
InChIInChI=1S/C12H24N2O2/c1-3-7-11(15)13-9-5-6-10-14-12(16)8-4-2/h3-10H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyMWJWOBJZDCOSGI-UHFFFAOYSA-N
XLogP1.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.60
H-Bond Donors ≤ 52
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-[4-(butanoylamino)butyl]butanamide?
The IUPAC name of N-[4-(butanoylamino)butyl]butanamide (CID 2166864) is N-[4-(butanoylamino)butyl]butanamide.
What is the SMILES notation for N-[4-(butanoylamino)butyl]butanamide?
The canonical SMILES for N-[4-(butanoylamino)butyl]butanamide is CCCC(=O)NCCCCNC(=O)CCC.
What is the InChIKey of N-[4-(butanoylamino)butyl]butanamide?
The InChIKey is MWJWOBJZDCOSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-7-11(15)13-9-5-6-10-14-12(16)8-4-2/h3-10H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of N-[4-(butanoylamino)butyl]butanamide?
N-[4-(butanoylamino)butyl]butanamide has a molecular weight of 228.34 g/mol, XLogP of 1.60, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(butanoylamino)butyl]butanamide is sourced from PubChem (CID 2166864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).