2-amino-5-methoxy-N-octan-2-ylpentanamide

C14H30N2O2 — CID 81083239

IUPAC2-amino-5-methoxy-N-octan-2-ylpentanamide
SMILESCCCCCCC(C)NC(=O)C(N)CCCOC
InChIInChI=1S/C14H30N2O2/c1-4-5-6-7-9-12(2)16-14(17)13(15)10-8-11-18-3/h12-13H,4-11,15H2,1-3H3,(H,16,17)
InChIKeyULUVJRIDQYKCAI-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.22
Rot. Bonds11

About 2-amino-5-methoxy-N-octan-2-ylpentanamide

2-amino-5-methoxy-N-octan-2-ylpentanamide (PubChem CID 81083239) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 2-amino-5-methoxy-N-octan-2-ylpentanamide.

Molecular Properties

Compound Name2-amino-5-methoxy-N-octan-2-ylpentanamide
PubChem CID81083239
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name2-amino-5-methoxy-N-octan-2-ylpentanamide
SMILESCCCCCCC(C)NC(=O)C(N)CCCOC
InChIInChI=1S/C14H30N2O2/c1-4-5-6-7-9-12(2)16-14(17)13(15)10-8-11-18-3/h12-13H,4-11,15H2,1-3H3,(H,16,17)
InChIKeyULUVJRIDQYKCAI-UHFFFAOYSA-N
XLogP2.22
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-5-methoxy-N-octan-2-ylpentanamide with MolForge

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

Launch Full Analysis

Related Compounds

2-amino-N-octan-2-ylbutanamide
CID 43711439
2-amino-5-methoxy-N-octan-4-ylpentanamide
CID 114138350
(2S)-2-amino-4-methyl-N-octan-2-ylpentanamide
CID 61179526
(2S)-2-amino-N-heptan-2-yl-4-methylpentanamide
CID 61154397
2-amino-5-methoxy-N-propylpentanamide
CID 81082005
2-amino-5-methoxy-N-(1-methoxy-3-methylbutan-2-yl)pentanamide
CID 81101222
(2R)-2-amino-N-heptan-2-ylpropanamide
CID 78972371
2-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-methoxypentanamide
CID 81100884
5-methoxy-2-(octan-2-ylcarbamoylamino)pentanoic acid
CID 81085553
(2S)-2-amino-N-hexan-2-ylbutanamide
CID 79023466
methyl (2S)-2-aminotridecanoate
CID 88583666
methyl 2-aminononadecanoate
CID 140839745

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methoxy-N-octan-2-ylpentanamide?
The IUPAC name of 2-amino-5-methoxy-N-octan-2-ylpentanamide (CID 81083239) is 2-amino-5-methoxy-N-octan-2-ylpentanamide.
What is the SMILES notation for 2-amino-5-methoxy-N-octan-2-ylpentanamide?
The canonical SMILES for 2-amino-5-methoxy-N-octan-2-ylpentanamide is CCCCCCC(C)NC(=O)C(N)CCCOC.
What is the InChIKey of 2-amino-5-methoxy-N-octan-2-ylpentanamide?
The InChIKey is ULUVJRIDQYKCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-4-5-6-7-9-12(2)16-14(17)13(15)10-8-11-18-3/h12-13H,4-11,15H2,1-3H3,(H,16,17).
What are the key properties of 2-amino-5-methoxy-N-octan-2-ylpentanamide?
2-amino-5-methoxy-N-octan-2-ylpentanamide has a molecular weight of 258.41 g/mol, XLogP of 2.22, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methoxy-N-octan-2-ylpentanamide is sourced from PubChem (CID 81083239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).