2-methyl-N-[4-(2-methylpropanoylamino)butyl]propanamide

C12H24N2O2 — CID 5014410

IUPAC2-methyl-N-[4-(2-methylpropanoylamino)butyl]propanamide
SMILESCC(C)C(=O)NCCCCNC(=O)C(C)C
InChIInChI=1S/C12H24N2O2/c1-9(2)11(15)13-7-5-6-8-14-12(16)10(3)4/h9-10H,5-8H2,1-4H3,(H,13,15)(H,14,16)
InChIKeyHAYVQWLMKUZDRA-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.31
Rot. Bonds7

About 2-methyl-N-[4-(2-methylpropanoylamino)butyl]propanamide

2-methyl-N-[4-(2-methylpropanoylamino)butyl]propanamide (PubChem CID 5014410) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-methyl-N-[4-(2-methylpropanoylamino)butyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-(2-methylpropanoylamino)butyl]propanamide
PubChem CID5014410
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-methyl-N-[4-(2-methylpropanoylamino)butyl]propanamide
SMILESCC(C)C(=O)NCCCCNC(=O)C(C)C
InChIInChI=1S/C12H24N2O2/c1-9(2)11(15)13-7-5-6-8-14-12(16)10(3)4/h9-10H,5-8H2,1-4H3,(H,13,15)(H,14,16)
InChIKeyHAYVQWLMKUZDRA-UHFFFAOYSA-N
XLogP1.31
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.31
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 2-methyl-N-[4-(2-methylpropanoylamino)butyl]propanamide?
The IUPAC name of 2-methyl-N-[4-(2-methylpropanoylamino)butyl]propanamide (CID 5014410) is 2-methyl-N-[4-(2-methylpropanoylamino)butyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-(2-methylpropanoylamino)butyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-(2-methylpropanoylamino)butyl]propanamide is CC(C)C(=O)NCCCCNC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-[4-(2-methylpropanoylamino)butyl]propanamide?
The InChIKey is HAYVQWLMKUZDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9(2)11(15)13-7-5-6-8-14-12(16)10(3)4/h9-10H,5-8H2,1-4H3,(H,13,15)(H,14,16).
What are the key properties of 2-methyl-N-[4-(2-methylpropanoylamino)butyl]propanamide?
2-methyl-N-[4-(2-methylpropanoylamino)butyl]propanamide has a molecular weight of 228.34 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(2-methylpropanoylamino)butyl]propanamide is sourced from PubChem (CID 5014410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).