2-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,3-dimethylpentanamide

C13H27N3O3 — CID 54874167

IUPAC2-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,3-dimethylpentanamide
SMILESCCC(C)C(N)C(=O)N(C)CC(=O)NCCCOC
InChIInChI=1S/C13H27N3O3/c1-5-10(2)12(14)13(18)16(3)9-11(17)15-7-6-8-19-4/h10,12H,5-9,14H2,1-4H3,(H,15,17)
InChIKeyPROZSBGKRGGRNZ-UHFFFAOYSA-N
MW273.38 g/mol
LogP-0.03
Rot. Bonds9

About 2-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,3-dimethylpentanamide

2-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,3-dimethylpentanamide (PubChem CID 54874167) has the molecular formula C13H27N3O3 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,3-dimethylpentanamide.

Molecular Properties

Compound Name2-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,3-dimethylpentanamide
PubChem CID54874167
Molecular FormulaC13H27N3O3
Molecular Weight273.38 g/mol
Exact Mass273.21
IUPAC Name2-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,3-dimethylpentanamide
SMILESCCC(C)C(N)C(=O)N(C)CC(=O)NCCCOC
InChIInChI=1S/C13H27N3O3/c1-5-10(2)12(14)13(18)16(3)9-11(17)15-7-6-8-19-4/h10,12H,5-9,14H2,1-4H3,(H,15,17)
InChIKeyPROZSBGKRGGRNZ-UHFFFAOYSA-N
XLogP-0.03
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2-dimethylpropanamide
CID 60707643
(2S)-2-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,4-dimethylpentanamide
CID 61163445
(2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,3-dimethylbutanamide
CID 61164170
(2S,3S)-2-amino-N-(3-methoxypropyl)-N,3-dimethylpentanamide
CID 63009481
4-amino-5-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]-5-oxopentanoic acid
CID 64890489
(2S)-2-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-4-methylsulfanylbutanamide
CID 61163444
(2R)-2-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-2-phenylacetamide
CID 61163818
2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylhexanamide
CID 54873029
2-amino-4-methoxy-N-methyl-N-[2-oxo-2-(propylamino)ethyl]butanamide
CID 62472504
(2R)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylpentanamide
CID 93373594
2-amino-4-methoxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbutanamide
CID 62474499
(2S)-2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N,3-dimethylpentanamide
CID 61173174

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,3-dimethylpentanamide?
The IUPAC name of 2-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,3-dimethylpentanamide (CID 54874167) is 2-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,3-dimethylpentanamide.
What is the SMILES notation for 2-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,3-dimethylpentanamide?
The canonical SMILES for 2-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,3-dimethylpentanamide is CCC(C)C(N)C(=O)N(C)CC(=O)NCCCOC.
What is the InChIKey of 2-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,3-dimethylpentanamide?
The InChIKey is PROZSBGKRGGRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3/c1-5-10(2)12(14)13(18)16(3)9-11(17)15-7-6-8-19-4/h10,12H,5-9,14H2,1-4H3,(H,15,17).
What are the key properties of 2-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,3-dimethylpentanamide?
2-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,3-dimethylpentanamide has a molecular weight of 273.38 g/mol, XLogP of -0.03, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,3-dimethylpentanamide is sourced from PubChem (CID 54874167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).