2-amino-N-butan-2-yl-N-ethyl-5-methoxypentanamide

C12H26N2O2 — CID 81082232

IUPAC2-amino-N-butan-2-yl-N-ethyl-5-methoxypentanamide
SMILESCCC(C)N(CC)C(=O)C(N)CCCOC
InChIInChI=1S/C12H26N2O2/c1-5-10(3)14(6-2)12(15)11(13)8-7-9-16-4/h10-11H,5-9,13H2,1-4H3
InChIKeyWZYUCLYMFNJJRQ-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.39
Rot. Bonds8

About 2-amino-N-butan-2-yl-N-ethyl-5-methoxypentanamide

2-amino-N-butan-2-yl-N-ethyl-5-methoxypentanamide (PubChem CID 81082232) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-amino-N-butan-2-yl-N-ethyl-5-methoxypentanamide.

Molecular Properties

Compound Name2-amino-N-butan-2-yl-N-ethyl-5-methoxypentanamide
PubChem CID81082232
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name2-amino-N-butan-2-yl-N-ethyl-5-methoxypentanamide
SMILESCCC(C)N(CC)C(=O)C(N)CCCOC
InChIInChI=1S/C12H26N2O2/c1-5-10(3)14(6-2)12(15)11(13)8-7-9-16-4/h10-11H,5-9,13H2,1-4H3
InChIKeyWZYUCLYMFNJJRQ-UHFFFAOYSA-N
XLogP1.39
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-butan-2-yl-5-methoxy-N-(2-methoxyethyl)pentanamide
CID 81088100
2-amino-N-ethyl-5-methoxy-N-propan-2-ylpentanamide
CID 81081261
2-amino-5-methoxy-N-propan-2-yl-N-propylpentanamide
CID 81081647
2-amino-N-ethyl-N-(2-hydroxyethyl)-5-methoxypentanamide
CID 81082966
2-[(2-amino-5-methoxypentanoyl)-ethylamino]acetic acid
CID 81088213
4-[(2-amino-5-methoxypentanoyl)-propan-2-ylamino]butanoic acid
CID 81089259
2-amino-N-benzyl-N-butan-2-yl-4-methoxybutanamide
CID 62473405
2-amino-5-methoxy-N-(3-methoxypropyl)-N-methylpentanamide
CID 81088448
(2R)-2-amino-N-butan-2-yl-N-ethyl-4-methylpentanamide
CID 104902610
2-amino-5-methoxy-N-methyl-N-pentylpentanamide
CID 81082325
2-amino-N-(2-ethoxyethyl)-N-ethyl-5-methoxypentanamide
CID 81088565
2-amino-N-(2-amino-2-oxoethyl)-5-methoxy-N-(2-methylpropyl)pentanamide
CID 81088046

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-butan-2-yl-N-ethyl-5-methoxypentanamide?
The IUPAC name of 2-amino-N-butan-2-yl-N-ethyl-5-methoxypentanamide (CID 81082232) is 2-amino-N-butan-2-yl-N-ethyl-5-methoxypentanamide.
What is the SMILES notation for 2-amino-N-butan-2-yl-N-ethyl-5-methoxypentanamide?
The canonical SMILES for 2-amino-N-butan-2-yl-N-ethyl-5-methoxypentanamide is CCC(C)N(CC)C(=O)C(N)CCCOC.
What is the InChIKey of 2-amino-N-butan-2-yl-N-ethyl-5-methoxypentanamide?
The InChIKey is WZYUCLYMFNJJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-5-10(3)14(6-2)12(15)11(13)8-7-9-16-4/h10-11H,5-9,13H2,1-4H3.
What are the key properties of 2-amino-N-butan-2-yl-N-ethyl-5-methoxypentanamide?
2-amino-N-butan-2-yl-N-ethyl-5-methoxypentanamide has a molecular weight of 230.35 g/mol, XLogP of 1.39, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-butan-2-yl-N-ethyl-5-methoxypentanamide is sourced from PubChem (CID 81082232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).