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

C12H27N3O2 — CID 103154097

IUPAC4-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NCC(C)(C)CN(C)C
InChIInChI=1S/C12H27N3O2/c1-12(2,9-15(3)4)8-14-11(16)6-10(7-13)17-5/h10H,6-9,13H2,1-5H3,(H,14,16)
InChIKeyXBFSRVBMPBYLJU-UHFFFAOYSA-N
MW245.37 g/mol
LogP0.05
Rot. Bonds8

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

4-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methoxybutanamide (PubChem CID 103154097) has the molecular formula C12H27N3O2 and a molecular weight of 245.37 g/mol. Its IUPAC name is 4-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methoxybutanamide
PubChem CID103154097
Molecular FormulaC12H27N3O2
Molecular Weight245.37 g/mol
Exact Mass245.21
IUPAC Name4-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NCC(C)(C)CN(C)C
InChIInChI=1S/C12H27N3O2/c1-12(2,9-15(3)4)8-14-11(16)6-10(7-13)17-5/h10H,6-9,13H2,1-5H3,(H,14,16)
InChIKeyXBFSRVBMPBYLJU-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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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methoxybutanamide?
The IUPAC name of 4-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methoxybutanamide (CID 103154097) is 4-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methoxybutanamide is COC(CN)CC(=O)NCC(C)(C)CN(C)C.
What is the InChIKey of 4-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methoxybutanamide?
The InChIKey is XBFSRVBMPBYLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2/c1-12(2,9-15(3)4)8-14-11(16)6-10(7-13)17-5/h10H,6-9,13H2,1-5H3,(H,14,16).
What are the key properties of 4-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methoxybutanamide?
4-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-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 4-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methoxybutanamide is sourced from PubChem (CID 103154097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).