N-butyl-4-(2-methylpropanoylamino)butanamide

C12H24N2O2 — CID 3067805

IUPACN-butyl-4-(2-methylpropanoylamino)butanamide
SMILESCCCCNC(=O)CCCNC(=O)C(C)C
InChIInChI=1S/C12H24N2O2/c1-4-5-8-13-11(15)7-6-9-14-12(16)10(2)3/h10H,4-9H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyBYEOZUIBVOZOQT-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.46
Rot. Bonds8

About N-butyl-4-(2-methylpropanoylamino)butanamide

N-butyl-4-(2-methylpropanoylamino)butanamide (PubChem CID 3067805) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-butyl-4-(2-methylpropanoylamino)butanamide.

Molecular Properties

Compound NameN-butyl-4-(2-methylpropanoylamino)butanamide
PubChem CID3067805
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-butyl-4-(2-methylpropanoylamino)butanamide
SMILESCCCCNC(=O)CCCNC(=O)C(C)C
InChIInChI=1S/C12H24N2O2/c1-4-5-8-13-11(15)7-6-9-14-12(16)10(2)3/h10H,4-9H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyBYEOZUIBVOZOQT-UHFFFAOYSA-N
XLogP1.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.46
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-butyl-4-(2-methylpropanoylamino)butanamide?
The IUPAC name of N-butyl-4-(2-methylpropanoylamino)butanamide (CID 3067805) is N-butyl-4-(2-methylpropanoylamino)butanamide.
What is the SMILES notation for N-butyl-4-(2-methylpropanoylamino)butanamide?
The canonical SMILES for N-butyl-4-(2-methylpropanoylamino)butanamide is CCCCNC(=O)CCCNC(=O)C(C)C.
What is the InChIKey of N-butyl-4-(2-methylpropanoylamino)butanamide?
The InChIKey is BYEOZUIBVOZOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-5-8-13-11(15)7-6-9-14-12(16)10(2)3/h10H,4-9H2,1-3H3,(H,13,15)(H,14,16).
What are the key properties of N-butyl-4-(2-methylpropanoylamino)butanamide?
N-butyl-4-(2-methylpropanoylamino)butanamide has a molecular weight of 228.34 g/mol, XLogP of 1.46, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-(2-methylpropanoylamino)butanamide is sourced from PubChem (CID 3067805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).