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

C15H24N2O — CID 60682717

IUPACN-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylpropanamide
SMILESCCN(Cc1ccc(N(C)C)cc1)C(=O)C(C)C
InChIInChI=1S/C15H24N2O/c1-6-17(15(18)12(2)3)11-13-7-9-14(10-8-13)16(4)5/h7-10,12H,6,11H2,1-5H3
InChIKeyRBRHHUILYONKES-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.76
Rot. Bonds5

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

N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylpropanamide (PubChem CID 60682717) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylpropanamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylpropanamide
PubChem CID60682717
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylpropanamide
SMILESCCN(Cc1ccc(N(C)C)cc1)C(=O)C(C)C
InChIInChI=1S/C15H24N2O/c1-6-17(15(18)12(2)3)11-13-7-9-14(10-8-13)16(4)5/h7-10,12H,6,11H2,1-5H3
InChIKeyRBRHHUILYONKES-UHFFFAOYSA-N
XLogP2.76
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

(2R)-2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpropanamide
CID 54995849
3-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylpropanamide
CID 62669455
(2S)-2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-3-methylpentanamide
CID 61172861
N-ethyl-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
CID 91015016
N-[[4-(dimethylamino)phenyl]methyl]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 56801300
N-[[4-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-2-methylpropanamide
CID 39834735
3-chloro-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpropanamide
CID 54875070
(2S)-2-amino-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-N-ethylpropanamide
CID 99703454
N-[(4-aminophenyl)methyl]-2-methyl-N-propylpropanamide
CID 43459453
N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-5-hydroxypentanamide
CID 79191359
2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylbutanamide
CID 79805312
N-[[4-(dimethylamino)phenyl]methyl]-2-ethyl-N-methylbutanamide
CID 78801142

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylpropanamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylpropanamide (CID 60682717) is N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylpropanamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylpropanamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylpropanamide is CCN(Cc1ccc(N(C)C)cc1)C(=O)C(C)C.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylpropanamide?
The InChIKey is RBRHHUILYONKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-6-17(15(18)12(2)3)11-13-7-9-14(10-8-13)16(4)5/h7-10,12H,6,11H2,1-5H3.
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylpropanamide?
N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylpropanamide has a molecular weight of 248.37 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylpropanamide is sourced from PubChem (CID 60682717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).