4-amino-3-[3-(dimethylamino)phenyl]-N,N-diethylbutanamide

C16H27N3O — CID 82139162

IUPAC4-amino-3-[3-(dimethylamino)phenyl]-N,N-diethylbutanamide
SMILESCCN(CC)C(=O)CC(CN)c1cccc(N(C)C)c1
InChIInChI=1S/C16H27N3O/c1-5-19(6-2)16(20)11-14(12-17)13-8-7-9-15(10-13)18(3)4/h7-10,14H,5-6,11-12,17H2,1-4H3
InChIKeyNHEYSTSNWFQIFG-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.05
Rot. Bonds7

About 4-amino-3-[3-(dimethylamino)phenyl]-N,N-diethylbutanamide

4-amino-3-[3-(dimethylamino)phenyl]-N,N-diethylbutanamide (PubChem CID 82139162) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-amino-3-[3-(dimethylamino)phenyl]-N,N-diethylbutanamide.

Molecular Properties

Compound Name4-amino-3-[3-(dimethylamino)phenyl]-N,N-diethylbutanamide
PubChem CID82139162
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name4-amino-3-[3-(dimethylamino)phenyl]-N,N-diethylbutanamide
SMILESCCN(CC)C(=O)CC(CN)c1cccc(N(C)C)c1
InChIInChI=1S/C16H27N3O/c1-5-19(6-2)16(20)11-14(12-17)13-8-7-9-15(10-13)18(3)4/h7-10,14H,5-6,11-12,17H2,1-4H3
InChIKeyNHEYSTSNWFQIFG-UHFFFAOYSA-N
XLogP2.05
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[3-(dimethylamino)phenyl]-N,N-diethylbutanamide?
The IUPAC name of 4-amino-3-[3-(dimethylamino)phenyl]-N,N-diethylbutanamide (CID 82139162) is 4-amino-3-[3-(dimethylamino)phenyl]-N,N-diethylbutanamide.
What is the SMILES notation for 4-amino-3-[3-(dimethylamino)phenyl]-N,N-diethylbutanamide?
The canonical SMILES for 4-amino-3-[3-(dimethylamino)phenyl]-N,N-diethylbutanamide is CCN(CC)C(=O)CC(CN)c1cccc(N(C)C)c1.
What is the InChIKey of 4-amino-3-[3-(dimethylamino)phenyl]-N,N-diethylbutanamide?
The InChIKey is NHEYSTSNWFQIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-5-19(6-2)16(20)11-14(12-17)13-8-7-9-15(10-13)18(3)4/h7-10,14H,5-6,11-12,17H2,1-4H3.
What are the key properties of 4-amino-3-[3-(dimethylamino)phenyl]-N,N-diethylbutanamide?
4-amino-3-[3-(dimethylamino)phenyl]-N,N-diethylbutanamide has a molecular weight of 277.41 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[3-(dimethylamino)phenyl]-N,N-diethylbutanamide is sourced from PubChem (CID 82139162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).