3-methyl-N-[4-oxo-4-(propylamino)butyl]butanamide

C12H24N2O2 — CID 3067802

IUPAC3-methyl-N-[4-oxo-4-(propylamino)butyl]butanamide
SMILESCCCNC(=O)CCCNC(=O)CC(C)C
InChIInChI=1S/C12H24N2O2/c1-4-7-13-11(15)6-5-8-14-12(16)9-10(2)3/h10H,4-9H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyWVRGZVRHMXFFRO-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.46
Rot. Bonds8

About 3-methyl-N-[4-oxo-4-(propylamino)butyl]butanamide

3-methyl-N-[4-oxo-4-(propylamino)butyl]butanamide (PubChem CID 3067802) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-methyl-N-[4-oxo-4-(propylamino)butyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[4-oxo-4-(propylamino)butyl]butanamide
PubChem CID3067802
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name3-methyl-N-[4-oxo-4-(propylamino)butyl]butanamide
SMILESCCCNC(=O)CCCNC(=O)CC(C)C
InChIInChI=1S/C12H24N2O2/c1-4-7-13-11(15)6-5-8-14-12(16)9-10(2)3/h10H,4-9H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyWVRGZVRHMXFFRO-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 3-methyl-N-[4-oxo-4-(propylamino)butyl]butanamide?
The IUPAC name of 3-methyl-N-[4-oxo-4-(propylamino)butyl]butanamide (CID 3067802) is 3-methyl-N-[4-oxo-4-(propylamino)butyl]butanamide.
What is the SMILES notation for 3-methyl-N-[4-oxo-4-(propylamino)butyl]butanamide?
The canonical SMILES for 3-methyl-N-[4-oxo-4-(propylamino)butyl]butanamide is CCCNC(=O)CCCNC(=O)CC(C)C.
What is the InChIKey of 3-methyl-N-[4-oxo-4-(propylamino)butyl]butanamide?
The InChIKey is WVRGZVRHMXFFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-7-13-11(15)6-5-8-14-12(16)9-10(2)3/h10H,4-9H2,1-3H3,(H,13,15)(H,14,16).
What are the key properties of 3-methyl-N-[4-oxo-4-(propylamino)butyl]butanamide?
3-methyl-N-[4-oxo-4-(propylamino)butyl]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 3-methyl-N-[4-oxo-4-(propylamino)butyl]butanamide is sourced from PubChem (CID 3067802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).