N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-(2-phenoxyethoxy)benzamide

C25H28N2O3 — CID 35745385

IUPACN-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-(2-phenoxyethoxy)benzamide
SMILESCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccccc1OCCOc1ccccc1
InChIInChI=1S/C25H28N2O3/c1-26(2)21-15-13-20(14-16-21)19-27(3)25(28)23-11-7-8-12-24(23)30-18-17-29-22-9-5-4-6-10-22/h4-16H,17-19H2,1-3H3
InChIKeyNSHTVXIDYLTWST-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.48
Rot. Bonds9

About N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-(2-phenoxyethoxy)benzamide

N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-(2-phenoxyethoxy)benzamide (PubChem CID 35745385) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-(2-phenoxyethoxy)benzamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-(2-phenoxyethoxy)benzamide
PubChem CID35745385
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-(2-phenoxyethoxy)benzamide
SMILESCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccccc1OCCOc1ccccc1
InChIInChI=1S/C25H28N2O3/c1-26(2)21-15-13-20(14-16-21)19-27(3)25(28)23-11-7-8-12-24(23)30-18-17-29-22-9-5-4-6-10-22/h4-16H,17-19H2,1-3H3
InChIKeyNSHTVXIDYLTWST-UHFFFAOYSA-N
XLogP4.48
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N-methyl-2-phenoxybenzamide
CID 3401624
N-benzyl-N-[2-[benzyl-[2-(2-phenoxyethoxy)benzoyl]amino]ethyl]-2-(2-phenoxyethoxy)benzamide
CID 4954876
phenyl N-[[4-(dimethylamino)phenyl]methyl]-N-methylcarbamate
CID 60655551
2-(4-fluorophenoxy)ethyl 2-[benzyl(methyl)carbamoyl]benzoate
CID 7870307
2-chloro-N-[[4-(dimethylamino)phenyl]methyl]-N-methylpyridine-3-carboxamide
CID 34735177
4-[[[2-(cyclopropylmethoxy)benzoyl]-methylamino]methyl]benzoic acid
CID 119225982
N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-(2-phenoxyethoxy)benzamide
CID 54856797
N,N-dimethyl-4-(3-phenoxypropyl)aniline
CID 91358469
N-[(4-fluorophenyl)methyl]-N-methyl-4-phenoxybutanamide
CID 78770382
N-benzyl-N-methyl-3-(2-phenylethoxy)benzamide
CID 17134261
methyl 2-[2-[[4-(dimethylamino)phenyl]methyl-methylcarbamoyl]phenyl]sulfanylpropanoate
CID 55914891
2-ethoxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide
CID 18116979

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-(2-phenoxyethoxy)benzamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-(2-phenoxyethoxy)benzamide (CID 35745385) is N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-(2-phenoxyethoxy)benzamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-(2-phenoxyethoxy)benzamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-(2-phenoxyethoxy)benzamide is CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccccc1OCCOc1ccccc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-(2-phenoxyethoxy)benzamide?
The InChIKey is NSHTVXIDYLTWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3/c1-26(2)21-15-13-20(14-16-21)19-27(3)25(28)23-11-7-8-12-24(23)30-18-17-29-22-9-5-4-6-10-22/h4-16H,17-19H2,1-3H3.
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-(2-phenoxyethoxy)benzamide?
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-(2-phenoxyethoxy)benzamide has a molecular weight of 404.51 g/mol, XLogP of 4.48, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-(2-phenoxyethoxy)benzamide is sourced from PubChem (CID 35745385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).