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

C15H25N3O — CID 62669455

IUPAC3-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylpropanamide
SMILESCCN(Cc1ccc(N(C)C)cc1)C(=O)C(C)CN
InChIInChI=1S/C15H25N3O/c1-5-18(15(19)12(2)10-16)11-13-6-8-14(9-7-13)17(3)4/h6-9,12H,5,10-11,16H2,1-4H3
InChIKeyNYMDBURINMFVDR-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.70
Rot. Bonds6

About 3-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylpropanamide

3-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylpropanamide (PubChem CID 62669455) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylpropanamide
PubChem CID62669455
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name3-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylpropanamide
SMILESCCN(Cc1ccc(N(C)C)cc1)C(=O)C(C)CN
InChIInChI=1S/C15H25N3O/c1-5-18(15(19)12(2)10-16)11-13-6-8-14(9-7-13)17(3)4/h6-9,12H,5,10-11,16H2,1-4H3
InChIKeyNYMDBURINMFVDR-UHFFFAOYSA-N
XLogP1.70
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.70
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'}

Analyze 3-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpropanamide
CID 54995849
N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylpropanamide
CID 60682717
(2S)-2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-3-methylpentanamide
CID 61172861
(2S)-2-amino-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-N-ethylpropanamide
CID 99703454
1-(aminomethyl)-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylcyclopropane-1-carboxamide
CID 115452807
2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylbutanamide
CID 79805312
3-chloro-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpropanamide
CID 54875070
2,2,2-trifluoroethyl N-[[4-(dimethylamino)phenyl]methyl]-N-ethylcarbamate
CID 60705959
(2R)-2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N,3-dimethylbutanamide
CID 79013489
3-amino-N,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 62671042
N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-5-hydroxypentanamide
CID 79191359
N-[[4-(dimethylamino)phenyl]methyl]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 56801300

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylpropanamide?
The IUPAC name of 3-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylpropanamide (CID 62669455) is 3-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylpropanamide.
What is the SMILES notation for 3-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylpropanamide?
The canonical SMILES for 3-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylpropanamide is CCN(Cc1ccc(N(C)C)cc1)C(=O)C(C)CN.
What is the InChIKey of 3-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylpropanamide?
The InChIKey is NYMDBURINMFVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-5-18(15(19)12(2)10-16)11-13-6-8-14(9-7-13)17(3)4/h6-9,12H,5,10-11,16H2,1-4H3.
What are the key properties of 3-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylpropanamide?
3-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylpropanamide has a molecular weight of 263.38 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylpropanamide is sourced from PubChem (CID 62669455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).