4-(3-ethylpentan-3-ylamino)-N-methylbutanamide

C12H26N2O — CID 65039652

IUPAC4-(3-ethylpentan-3-ylamino)-N-methylbutanamide
SMILESCCC(CC)(CC)NCCCC(=O)NC
InChIInChI=1S/C12H26N2O/c1-5-12(6-2,7-3)14-10-8-9-11(15)13-4/h14H,5-10H2,1-4H3,(H,13,15)
InChIKeyQYBTXOJQVHPYMQ-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.07
Rot. Bonds8

About 4-(3-ethylpentan-3-ylamino)-N-methylbutanamide

4-(3-ethylpentan-3-ylamino)-N-methylbutanamide (PubChem CID 65039652) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 4-(3-ethylpentan-3-ylamino)-N-methylbutanamide.

Molecular Properties

Compound Name4-(3-ethylpentan-3-ylamino)-N-methylbutanamide
PubChem CID65039652
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name4-(3-ethylpentan-3-ylamino)-N-methylbutanamide
SMILESCCC(CC)(CC)NCCCC(=O)NC
InChIInChI=1S/C12H26N2O/c1-5-12(6-2,7-3)14-10-8-9-11(15)13-4/h14H,5-10H2,1-4H3,(H,13,15)
InChIKeyQYBTXOJQVHPYMQ-UHFFFAOYSA-N
XLogP2.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(3-ethylpentan-3-ylamino)-N-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylpentan-3-ylamino)-N-methylbutanamide?
The IUPAC name of 4-(3-ethylpentan-3-ylamino)-N-methylbutanamide (CID 65039652) is 4-(3-ethylpentan-3-ylamino)-N-methylbutanamide.
What is the SMILES notation for 4-(3-ethylpentan-3-ylamino)-N-methylbutanamide?
The canonical SMILES for 4-(3-ethylpentan-3-ylamino)-N-methylbutanamide is CCC(CC)(CC)NCCCC(=O)NC.
What is the InChIKey of 4-(3-ethylpentan-3-ylamino)-N-methylbutanamide?
The InChIKey is QYBTXOJQVHPYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-5-12(6-2,7-3)14-10-8-9-11(15)13-4/h14H,5-10H2,1-4H3,(H,13,15).
What are the key properties of 4-(3-ethylpentan-3-ylamino)-N-methylbutanamide?
4-(3-ethylpentan-3-ylamino)-N-methylbutanamide has a molecular weight of 214.35 g/mol, XLogP of 2.07, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylpentan-3-ylamino)-N-methylbutanamide is sourced from PubChem (CID 65039652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).