2-amino-N-butan-2-yl-5-methoxy-N-(2-methoxyethyl)pentanamide

C13H28N2O3 — CID 81088100

IUPAC2-amino-N-butan-2-yl-5-methoxy-N-(2-methoxyethyl)pentanamide
SMILESCCC(C)N(CCOC)C(=O)C(N)CCCOC
InChIInChI=1S/C13H28N2O3/c1-5-11(2)15(8-10-18-4)13(16)12(14)7-6-9-17-3/h11-12H,5-10,14H2,1-4H3
InChIKeyZLTMCZUNFUKUJN-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.01
Rot. Bonds10

About 2-amino-N-butan-2-yl-5-methoxy-N-(2-methoxyethyl)pentanamide

2-amino-N-butan-2-yl-5-methoxy-N-(2-methoxyethyl)pentanamide (PubChem CID 81088100) has the molecular formula C13H28N2O3 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-amino-N-butan-2-yl-5-methoxy-N-(2-methoxyethyl)pentanamide.

Molecular Properties

Compound Name2-amino-N-butan-2-yl-5-methoxy-N-(2-methoxyethyl)pentanamide
PubChem CID81088100
Molecular FormulaC13H28N2O3
Molecular Weight260.38 g/mol
Exact Mass260.21
IUPAC Name2-amino-N-butan-2-yl-5-methoxy-N-(2-methoxyethyl)pentanamide
SMILESCCC(C)N(CCOC)C(=O)C(N)CCCOC
InChIInChI=1S/C13H28N2O3/c1-5-11(2)15(8-10-18-4)13(16)12(14)7-6-9-17-3/h11-12H,5-10,14H2,1-4H3
InChIKeyZLTMCZUNFUKUJN-UHFFFAOYSA-N
XLogP1.01
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-N-ethyl-5-methoxypentanamide
CID 81082232
2-amino-5-methoxy-N-propan-2-yl-N-propylpentanamide
CID 81081647
2-amino-N-ethyl-5-methoxy-N-propan-2-ylpentanamide
CID 81081261
2-amino-N-butan-2-yl-N-(2-methoxyethyl)-3-methylpentanamide
CID 55000825
(2R)-2-amino-N-(2-methoxyethyl)-N-propan-2-ylbutanamide
CID 82949069
2-amino-5-methoxy-N-(3-methoxypropyl)-N-methylpentanamide
CID 81088448
4-[(2-amino-5-methoxypentanoyl)-propan-2-ylamino]butanoic acid
CID 81089259
(2R)-2-amino-N-butan-2-yl-N-(2-methoxyethyl)-3-phenylpropanamide
CID 78985515
(2S)-2-amino-N-butan-2-yl-N-butylpentanamide
CID 107568931
2-amino-N-butan-2-yl-3-(4-hydroxyphenyl)-N-(2-methoxyethyl)propanamide
CID 76911958
2-amino-5-methoxy-N-methyl-N-pentylpentanamide
CID 81082325
2-amino-N-(2-hydroxyethyl)-5-methoxy-N-methylpentanamide
CID 81082818

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-butan-2-yl-5-methoxy-N-(2-methoxyethyl)pentanamide?
The IUPAC name of 2-amino-N-butan-2-yl-5-methoxy-N-(2-methoxyethyl)pentanamide (CID 81088100) is 2-amino-N-butan-2-yl-5-methoxy-N-(2-methoxyethyl)pentanamide.
What is the SMILES notation for 2-amino-N-butan-2-yl-5-methoxy-N-(2-methoxyethyl)pentanamide?
The canonical SMILES for 2-amino-N-butan-2-yl-5-methoxy-N-(2-methoxyethyl)pentanamide is CCC(C)N(CCOC)C(=O)C(N)CCCOC.
What is the InChIKey of 2-amino-N-butan-2-yl-5-methoxy-N-(2-methoxyethyl)pentanamide?
The InChIKey is ZLTMCZUNFUKUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3/c1-5-11(2)15(8-10-18-4)13(16)12(14)7-6-9-17-3/h11-12H,5-10,14H2,1-4H3.
What are the key properties of 2-amino-N-butan-2-yl-5-methoxy-N-(2-methoxyethyl)pentanamide?
2-amino-N-butan-2-yl-5-methoxy-N-(2-methoxyethyl)pentanamide has a molecular weight of 260.38 g/mol, XLogP of 1.01, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-butan-2-yl-5-methoxy-N-(2-methoxyethyl)pentanamide is sourced from PubChem (CID 81088100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).