N-[[4-(dimethylamino)phenyl]methyl]-3,4,5-triethoxy-N-ethylbenzamide

C24H34N2O4 — CID 55438168

IUPACN-[[4-(dimethylamino)phenyl]methyl]-3,4,5-triethoxy-N-ethylbenzamide
SMILESCCOc1cc(C(=O)N(CC)Cc2ccc(N(C)C)cc2)cc(OCC)c1OCC
InChIInChI=1S/C24H34N2O4/c1-7-26(17-18-11-13-20(14-12-18)25(5)6)24(27)19-15-21(28-8-2)23(30-10-4)22(16-19)29-9-3/h11-16H,7-10,17H2,1-6H3
InChIKeyLBAOHIJEJWAJOU-UHFFFAOYSA-N
MW414.55 g/mol
LogP4.61
Rot. Bonds11

About N-[[4-(dimethylamino)phenyl]methyl]-3,4,5-triethoxy-N-ethylbenzamide

N-[[4-(dimethylamino)phenyl]methyl]-3,4,5-triethoxy-N-ethylbenzamide (PubChem CID 55438168) has the molecular formula C24H34N2O4 and a molecular weight of 414.55 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-3,4,5-triethoxy-N-ethylbenzamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-3,4,5-triethoxy-N-ethylbenzamide
PubChem CID55438168
Molecular FormulaC24H34N2O4
Molecular Weight414.55 g/mol
Exact Mass414.25
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-3,4,5-triethoxy-N-ethylbenzamide
SMILESCCOc1cc(C(=O)N(CC)Cc2ccc(N(C)C)cc2)cc(OCC)c1OCC
InChIInChI=1S/C24H34N2O4/c1-7-26(17-18-11-13-20(14-12-18)25(5)6)24(27)19-15-21(28-8-2)23(30-10-4)22(16-19)29-9-3/h11-16H,7-10,17H2,1-6H3
InChIKeyLBAOHIJEJWAJOU-UHFFFAOYSA-N
XLogP4.61
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

3,4,5-triethoxy-N-[(4-fluorophenyl)methyl]-N-prop-2-ynylbenzamide
CID 52780861
N-(cyanomethyl)-3,4,5-triethoxy-N-ethylbenzamide
CID 60593026
N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 24548570
4-bromo-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3,5-dimethoxybenzamide
CID 56511790
N,N-dibenzyl-3,4-diethoxybenzamide
CID 73441726
N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-4-(phenylcarbamoylamino)benzamide
CID 55437961
3-chloro-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpropanamide
CID 54875070
N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylpropanamide
CID 60682717
N-(1,3-benzodioxol-5-ylmethyl)-3-chloro-5-ethoxy-N-ethyl-4-propoxybenzamide
CID 55372162
N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-5-hydroxypentanamide
CID 79191359
4-butoxy-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3-methoxybenzamide
CID 56512309
N-cyclopropyl-3,4,5-triethoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 33351847

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-3,4,5-triethoxy-N-ethylbenzamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-3,4,5-triethoxy-N-ethylbenzamide (CID 55438168) is N-[[4-(dimethylamino)phenyl]methyl]-3,4,5-triethoxy-N-ethylbenzamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-3,4,5-triethoxy-N-ethylbenzamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-3,4,5-triethoxy-N-ethylbenzamide is CCOc1cc(C(=O)N(CC)Cc2ccc(N(C)C)cc2)cc(OCC)c1OCC.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-3,4,5-triethoxy-N-ethylbenzamide?
The InChIKey is LBAOHIJEJWAJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O4/c1-7-26(17-18-11-13-20(14-12-18)25(5)6)24(27)19-15-21(28-8-2)23(30-10-4)22(16-19)29-9-3/h11-16H,7-10,17H2,1-6H3.
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-3,4,5-triethoxy-N-ethylbenzamide?
N-[[4-(dimethylamino)phenyl]methyl]-3,4,5-triethoxy-N-ethylbenzamide has a molecular weight of 414.55 g/mol, XLogP of 4.61, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-3,4,5-triethoxy-N-ethylbenzamide is sourced from PubChem (CID 55438168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).