(2R)-2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpropanamide

C14H23N3O — CID 54995849

IUPAC(2R)-2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpropanamide
SMILESCCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)N
InChIInChI=1S/C14H23N3O/c1-5-17(14(18)11(2)15)10-12-6-8-13(9-7-12)16(3)4/h6-9,11H,5,10,15H2,1-4H3/t11-/m1/s1
InChIKeySKTUTFUYNOTGAT-LLVKDONJSA-N
MW249.36 g/mol
LogP1.45
Rot. Bonds5

About (2R)-2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpropanamide

(2R)-2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpropanamide (PubChem CID 54995849) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is (2R)-2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpropanamide
PubChem CID54995849
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name(2R)-2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpropanamide
SMILESCCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)N
InChIInChI=1S/C14H23N3O/c1-5-17(14(18)11(2)15)10-12-6-8-13(9-7-12)16(3)4/h6-9,11H,5,10,15H2,1-4H3/t11-/m1/s1
InChIKeySKTUTFUYNOTGAT-LLVKDONJSA-N
XLogP1.45
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.45
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 (2R)-2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpropanamide 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

(2S)-2-amino-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-N-ethylpropanamide
CID 99703454
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
3-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylpropanamide
CID 62669455
2-amino-N-[(4-chlorophenyl)methyl]-N-ethylpropanamide;hydrochloride
CID 119289283
(2S)-2-amino-N-ethyl-N-[(4-nitrophenyl)methyl]propanamide
CID 66568438
2-amino-N-[(3,4-difluorophenyl)methyl]-N-ethylpropanamide
CID 54872566
(2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethylpropanamide;hydrochloride
CID 119300447
(2R)-2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N,3-dimethylbutanamide
CID 79013489
2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylbutanamide
CID 79805312
3-chloro-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpropanamide
CID 54875070
(2R)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]propanamide
CID 78973383

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpropanamide?
The IUPAC name of (2R)-2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpropanamide (CID 54995849) is (2R)-2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpropanamide.
What is the SMILES notation for (2R)-2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpropanamide?
The canonical SMILES for (2R)-2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpropanamide is CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)N.
What is the InChIKey of (2R)-2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpropanamide?
The InChIKey is SKTUTFUYNOTGAT-LLVKDONJSA-N. The full InChI is InChI=1S/C14H23N3O/c1-5-17(14(18)11(2)15)10-12-6-8-13(9-7-12)16(3)4/h6-9,11H,5,10,15H2,1-4H3/t11-/m1/s1.
What are the key properties of (2R)-2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpropanamide?
(2R)-2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpropanamide has a molecular weight of 249.36 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpropanamide is sourced from PubChem (CID 54995849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).