N-[[5-amino-2-(dimethylamino)phenyl]methyl]-3-methyl-N-propylbenzamide

C20H27N3O — CID 42815515

IUPACN-[[5-amino-2-(dimethylamino)phenyl]methyl]-3-methyl-N-propylbenzamide
SMILESCCCN(Cc1cc(N)ccc1N(C)C)C(=O)c1cccc(C)c1
InChIInChI=1S/C20H27N3O/c1-5-11-23(20(24)16-8-6-7-15(2)12-16)14-17-13-18(21)9-10-19(17)22(3)4/h6-10,12-13H,5,11,14,21H2,1-4H3
InChIKeyOEUAWGBNUQJSIF-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.70
Rot. Bonds6

About N-[[5-amino-2-(dimethylamino)phenyl]methyl]-3-methyl-N-propylbenzamide

N-[[5-amino-2-(dimethylamino)phenyl]methyl]-3-methyl-N-propylbenzamide (PubChem CID 42815515) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is N-[[5-amino-2-(dimethylamino)phenyl]methyl]-3-methyl-N-propylbenzamide.

Molecular Properties

Compound NameN-[[5-amino-2-(dimethylamino)phenyl]methyl]-3-methyl-N-propylbenzamide
PubChem CID42815515
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC NameN-[[5-amino-2-(dimethylamino)phenyl]methyl]-3-methyl-N-propylbenzamide
SMILESCCCN(Cc1cc(N)ccc1N(C)C)C(=O)c1cccc(C)c1
InChIInChI=1S/C20H27N3O/c1-5-11-23(20(24)16-8-6-7-15(2)12-16)14-17-13-18(21)9-10-19(17)22(3)4/h6-10,12-13H,5,11,14,21H2,1-4H3
InChIKeyOEUAWGBNUQJSIF-UHFFFAOYSA-N
XLogP3.70
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylbenzamide
CID 1391861
3-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylbenzamide
CID 945176
N-[[5-amino-2-(dimethylamino)phenyl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide
CID 42815459
3-amino-N-ethyl-N-[(3-methylphenyl)methyl]benzamide
CID 60939211
3-methyl-N,N-di(undecyl)benzamide
CID 533252
N-[(3-aminophenyl)methyl]-N,3-dimethylbenzamide
CID 43457819
3-amino-N-methyl-N-propylbenzamide
CID 43270761
N-[(3-aminophenyl)methyl]-4-chloro-N-propylbenzamide
CID 43459684
N,N-bis(2-hydroxyethyl)-3-methylbenzamide
CID 60653227
N-benzyl-N-[[2-(dimethylamino)-5-(3,3-dimethylbutanoylamino)phenyl]methyl]-3-methylbenzamide
CID 42816294
N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(2-methoxyethyl)furan-2-carboxamide
CID 42815461
3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106610518

Frequently Asked Questions

What is the IUPAC name of N-[[5-amino-2-(dimethylamino)phenyl]methyl]-3-methyl-N-propylbenzamide?
The IUPAC name of N-[[5-amino-2-(dimethylamino)phenyl]methyl]-3-methyl-N-propylbenzamide (CID 42815515) is N-[[5-amino-2-(dimethylamino)phenyl]methyl]-3-methyl-N-propylbenzamide.
What is the SMILES notation for N-[[5-amino-2-(dimethylamino)phenyl]methyl]-3-methyl-N-propylbenzamide?
The canonical SMILES for N-[[5-amino-2-(dimethylamino)phenyl]methyl]-3-methyl-N-propylbenzamide is CCCN(Cc1cc(N)ccc1N(C)C)C(=O)c1cccc(C)c1.
What is the InChIKey of N-[[5-amino-2-(dimethylamino)phenyl]methyl]-3-methyl-N-propylbenzamide?
The InChIKey is OEUAWGBNUQJSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-5-11-23(20(24)16-8-6-7-15(2)12-16)14-17-13-18(21)9-10-19(17)22(3)4/h6-10,12-13H,5,11,14,21H2,1-4H3.
What are the key properties of N-[[5-amino-2-(dimethylamino)phenyl]methyl]-3-methyl-N-propylbenzamide?
N-[[5-amino-2-(dimethylamino)phenyl]methyl]-3-methyl-N-propylbenzamide has a molecular weight of 325.46 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-amino-2-(dimethylamino)phenyl]methyl]-3-methyl-N-propylbenzamide is sourced from PubChem (CID 42815515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).