2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methoxybutanamide

C12H27N3O2 — CID 62474428

IUPAC2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methoxybutanamide
SMILESCOCCC(N)C(=O)NCC(C)(C)CN(C)C
InChIInChI=1S/C12H27N3O2/c1-12(2,9-15(3)4)8-14-11(16)10(13)6-7-17-5/h10H,6-9,13H2,1-5H3,(H,14,16)
InChIKeyOHIOXEVTYRWWJG-UHFFFAOYSA-N
MW245.37 g/mol
LogP0.05
Rot. Bonds8

About 2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methoxybutanamide

2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methoxybutanamide (PubChem CID 62474428) has the molecular formula C12H27N3O2 and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methoxybutanamide.

Molecular Properties

Compound Name2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methoxybutanamide
PubChem CID62474428
Molecular FormulaC12H27N3O2
Molecular Weight245.37 g/mol
Exact Mass245.21
IUPAC Name2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methoxybutanamide
SMILESCOCCC(N)C(=O)NCC(C)(C)CN(C)C
InChIInChI=1S/C12H27N3O2/c1-12(2,9-15(3)4)8-14-11(16)10(13)6-7-17-5/h10H,6-9,13H2,1-5H3,(H,14,16)
InChIKeyOHIOXEVTYRWWJG-UHFFFAOYSA-N
XLogP0.05
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]pentanamide
CID 103813226
2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-4-methoxybutanamide
CID 83110719
2-amino-N-(5-hydroxy-2,2-dimethylpentyl)-5-methoxypentanamide
CID 106148113
2-amino-N-(2-hydroxyethyl)-4-methoxybutanamide
CID 62472987
2-amino-N-(2-aminoethyl)-4-methoxybutanamide
CID 62477473
(2R)-2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(4-hydroxyphenyl)propanamide
CID 104904566
2-amino-N-(3-hydroxy-2,2-dimethylpropyl)-3-methoxypropanamide
CID 115360310
2-amino-4-methoxy-N-(2-methylpropyl)butanamide
CID 62474242
2-amino-N-[2-(dimethylsulfamoyl)ethyl]-4-methoxybutanamide
CID 106337528
2-amino-N-(3-amino-3-oxopropyl)-4-methoxybutanamide
CID 62473721
2-amino-N-(3-aminopropyl)-4-methoxybutanamide
CID 62477474
2-amino-N-[1-(dimethylamino)propan-2-yl]-4-methoxybutanamide
CID 82945682

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methoxybutanamide?
The IUPAC name of 2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methoxybutanamide (CID 62474428) is 2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methoxybutanamide.
What is the SMILES notation for 2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methoxybutanamide?
The canonical SMILES for 2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methoxybutanamide is COCCC(N)C(=O)NCC(C)(C)CN(C)C.
What is the InChIKey of 2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methoxybutanamide?
The InChIKey is OHIOXEVTYRWWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2/c1-12(2,9-15(3)4)8-14-11(16)10(13)6-7-17-5/h10H,6-9,13H2,1-5H3,(H,14,16).
What are the key properties of 2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methoxybutanamide?
2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methoxybutanamide has a molecular weight of 245.37 g/mol, XLogP of 0.05, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methoxybutanamide is sourced from PubChem (CID 62474428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).