2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylbutanamide

C16H27N3O — CID 79805312

IUPAC2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylbutanamide
SMILESCCN(Cc1ccc(N(C)C)cc1)C(=O)C(C)(N)CC
InChIInChI=1S/C16H27N3O/c1-6-16(3,17)15(20)19(7-2)12-13-8-10-14(11-9-13)18(4)5/h8-11H,6-7,12,17H2,1-5H3
InChIKeyUYMXEIQJEUZFLI-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.23
Rot. Bonds6

About 2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylbutanamide

2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylbutanamide (PubChem CID 79805312) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylbutanamide
PubChem CID79805312
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylbutanamide
SMILESCCN(Cc1ccc(N(C)C)cc1)C(=O)C(C)(N)CC
InChIInChI=1S/C16H27N3O/c1-6-16(3,17)15(20)19(7-2)12-13-8-10-14(11-9-13)18(4)5/h8-11H,6-7,12,17H2,1-5H3
InChIKeyUYMXEIQJEUZFLI-UHFFFAOYSA-N
XLogP2.23
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-benzyl-2-methyl-N-propylbutanamide
CID 79797442
(2R)-2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpropanamide
CID 54995849
2-amino-N-[(4-cyanophenyl)methyl]-2-methyl-N-propylbutanamide
CID 79805228
N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylpropanamide
CID 60682717
2-amino-N-benzyl-N-ethyl-2-methylpentanamide
CID 60846660
1-(aminomethyl)-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylcyclopropane-1-carboxamide
CID 115452807
2,2,2-trifluoroethyl N-[[4-(dimethylamino)phenyl]methyl]-N-ethylcarbamate
CID 60705959
3-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylpropanamide
CID 62669455
2-amino-N-benzyl-N-ethyl-2-methylpentanamide;hydrochloride
CID 119674328
3-chloro-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpropanamide
CID 54875070
2-amino-N-ethyl-2-methyl-N-(2-phenylethyl)butanamide
CID 79805499
2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 61266612

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylbutanamide?
The IUPAC name of 2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylbutanamide (CID 79805312) is 2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylbutanamide.
What is the SMILES notation for 2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylbutanamide?
The canonical SMILES for 2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylbutanamide is CCN(Cc1ccc(N(C)C)cc1)C(=O)C(C)(N)CC.
What is the InChIKey of 2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylbutanamide?
The InChIKey is UYMXEIQJEUZFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-6-16(3,17)15(20)19(7-2)12-13-8-10-14(11-9-13)18(4)5/h8-11H,6-7,12,17H2,1-5H3.
What are the key properties of 2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylbutanamide?
2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylbutanamide has a molecular weight of 277.41 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylbutanamide is sourced from PubChem (CID 79805312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).