N-[[5-amino-2-(dimethylamino)phenyl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide

C20H27N3O3 — CID 42815459

IUPACN-[[5-amino-2-(dimethylamino)phenyl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide
SMILESCOCCN(Cc1cc(N)ccc1N(C)C)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C20H27N3O3/c1-22(2)19-10-7-17(21)13-16(19)14-23(11-12-25-3)20(24)15-5-8-18(26-4)9-6-15/h5-10,13H,11-12,14,21H2,1-4H3
InChIKeyPXOUKCCJOCTCDQ-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.63
Rot. Bonds8

About N-[[5-amino-2-(dimethylamino)phenyl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide

N-[[5-amino-2-(dimethylamino)phenyl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide (PubChem CID 42815459) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-[[5-amino-2-(dimethylamino)phenyl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound NameN-[[5-amino-2-(dimethylamino)phenyl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide
PubChem CID42815459
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC NameN-[[5-amino-2-(dimethylamino)phenyl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide
SMILESCOCCN(Cc1cc(N)ccc1N(C)C)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C20H27N3O3/c1-22(2)19-10-7-17(21)13-16(19)14-23(11-12-25-3)20(24)15-5-8-18(26-4)9-6-15/h5-10,13H,11-12,14,21H2,1-4H3
InChIKeyPXOUKCCJOCTCDQ-UHFFFAOYSA-N
XLogP2.63
TPSA68.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[5-amino-2-(dimethylamino)phenyl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide 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

N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(2-methoxyethyl)-2-methylpropanamide
CID 42815460
N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(2-methoxyethyl)furan-2-carboxamide
CID 42815461
N-(2-hydroxyethyl)-4-methoxy-N-(2-methoxyethyl)benzamide
CID 113339829
N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(2-methoxyethyl)methanesulfonamide
CID 42815568
N-[[5-amino-2-(dimethylamino)phenyl]methyl]-3-methyl-N-propylbenzamide
CID 42815515
N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-4-ethoxy-N-(2-methoxyethyl)benzamide
CID 3216967
methyl 3-[(4-aminobenzoyl)-(2-methoxyethyl)amino]propanoate
CID 115532929
N-(cyclopropylmethyl)-N-[[2-(dimethylamino)-5-(propan-2-ylcarbamoylamino)phenyl]methyl]-4-methoxybenzamide
CID 42817518
N-(cyclopropylmethyl)-N-[[2-(dimethylamino)-5-(3,3-dimethylbutanoylamino)phenyl]methyl]-4-methoxybenzamide
CID 46138736
4-amino-3-hydroxy-N,N-bis(2-methoxyethyl)benzamide
CID 107074165
4-chloro-N-(2-methoxyethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 2987726
3-amino-N-benzyl-N-[2-(2-methoxyethoxy)ethyl]benzamide
CID 119814507

Frequently Asked Questions

What is the IUPAC name of N-[[5-amino-2-(dimethylamino)phenyl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide?
The IUPAC name of N-[[5-amino-2-(dimethylamino)phenyl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide (CID 42815459) is N-[[5-amino-2-(dimethylamino)phenyl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for N-[[5-amino-2-(dimethylamino)phenyl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide?
The canonical SMILES for N-[[5-amino-2-(dimethylamino)phenyl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide is COCCN(Cc1cc(N)ccc1N(C)C)C(=O)c1ccc(OC)cc1.
What is the InChIKey of N-[[5-amino-2-(dimethylamino)phenyl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide?
The InChIKey is PXOUKCCJOCTCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-22(2)19-10-7-17(21)13-16(19)14-23(11-12-25-3)20(24)15-5-8-18(26-4)9-6-15/h5-10,13H,11-12,14,21H2,1-4H3.
What are the key properties of N-[[5-amino-2-(dimethylamino)phenyl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide?
N-[[5-amino-2-(dimethylamino)phenyl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide has a molecular weight of 357.45 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-amino-2-(dimethylamino)phenyl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 42815459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).