N-[2-(dimethylamino)ethyl]-2-[3-[(4-methylphenyl)methyl-(2-phenoxyacetyl)amino]phenyl]acetamide

C28H33N3O3 — CID 46057198

IUPACN-[2-(dimethylamino)ethyl]-2-[3-[(4-methylphenyl)methyl-(2-phenoxyacetyl)amino]phenyl]acetamide
SMILESCc1ccc(CN(C(=O)COc2ccccc2)c2cccc(CC(=O)NCCN(C)C)c2)cc1
InChIInChI=1S/C28H33N3O3/c1-22-12-14-23(15-13-22)20-31(28(33)21-34-26-10-5-4-6-11-26)25-9-7-8-24(18-25)19-27(32)29-16-17-30(2)3/h4-15,18H,16-17,19-21H2,1-3H3,(H,29,32)
InChIKeyJRSTXTMOTJCYCC-UHFFFAOYSA-N
MW459.59 g/mol
LogP3.83
Rot. Bonds11

About N-[2-(dimethylamino)ethyl]-2-[3-[(4-methylphenyl)methyl-(2-phenoxyacetyl)amino]phenyl]acetamide

N-[2-(dimethylamino)ethyl]-2-[3-[(4-methylphenyl)methyl-(2-phenoxyacetyl)amino]phenyl]acetamide (PubChem CID 46057198) has the molecular formula C28H33N3O3 and a molecular weight of 459.59 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-[3-[(4-methylphenyl)methyl-(2-phenoxyacetyl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-[3-[(4-methylphenyl)methyl-(2-phenoxyacetyl)amino]phenyl]acetamide
PubChem CID46057198
Molecular FormulaC28H33N3O3
Molecular Weight459.59 g/mol
Exact Mass459.25
IUPAC NameN-[2-(dimethylamino)ethyl]-2-[3-[(4-methylphenyl)methyl-(2-phenoxyacetyl)amino]phenyl]acetamide
SMILESCc1ccc(CN(C(=O)COc2ccccc2)c2cccc(CC(=O)NCCN(C)C)c2)cc1
InChIInChI=1S/C28H33N3O3/c1-22-12-14-23(15-13-22)20-31(28(33)21-34-26-10-5-4-6-11-26)25-9-7-8-24(18-25)19-27(32)29-16-17-30(2)3/h4-15,18H,16-17,19-21H2,1-3H3,(H,29,32)
InChIKeyJRSTXTMOTJCYCC-UHFFFAOYSA-N
XLogP3.83
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.59
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[benzyl-(2-phenoxyacetyl)amino]phenyl]-N-(1-phenylethyl)acetamide
CID 46056741
2-[3-[benzyl-(2-methoxyacetyl)amino]phenyl]-N-(2-methoxyethyl)acetamide
CID 46056595
2-[4-[benzyl-(2-phenoxyacetyl)amino]phenyl]-N-(2-phenylethyl)acetamide
CID 46046116
N-benzyl-2-(3-methylphenoxy)-N-phenylacetamide
CID 112977258
N-benzyl-N-[3-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]phenyl]-3-fluorobenzamide
CID 42859313
2-amino-N-benzyl-N-[3-[2-(N-methylanilino)-2-oxoethoxy]phenyl]acetamide
CID 10573232
N-benzyl-3-methyl-N-[3-[2-oxo-2-(propylamino)ethyl]phenyl]butanamide
CID 42859236
N-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(propylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 46056998
N-(4-fluorophenyl)-2-[3-[(2-methoxyacetyl)-[(4-methylphenyl)methyl]amino]phenyl]acetamide
CID 46057051
N-[3-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-2-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 46057086
N-[2-[acetyl-[(4-methylphenyl)methyl]amino]ethyl]-2-phenylacetamide
CID 113054348
N-[3-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-3-methyl-N-[(4-methylphenyl)methyl]butanamide
CID 46056985

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-[3-[(4-methylphenyl)methyl-(2-phenoxyacetyl)amino]phenyl]acetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-[3-[(4-methylphenyl)methyl-(2-phenoxyacetyl)amino]phenyl]acetamide (CID 46057198) is N-[2-(dimethylamino)ethyl]-2-[3-[(4-methylphenyl)methyl-(2-phenoxyacetyl)amino]phenyl]acetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-[3-[(4-methylphenyl)methyl-(2-phenoxyacetyl)amino]phenyl]acetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-[3-[(4-methylphenyl)methyl-(2-phenoxyacetyl)amino]phenyl]acetamide is Cc1ccc(CN(C(=O)COc2ccccc2)c2cccc(CC(=O)NCCN(C)C)c2)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-[3-[(4-methylphenyl)methyl-(2-phenoxyacetyl)amino]phenyl]acetamide?
The InChIKey is JRSTXTMOTJCYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O3/c1-22-12-14-23(15-13-22)20-31(28(33)21-34-26-10-5-4-6-11-26)25-9-7-8-24(18-25)19-27(32)29-16-17-30(2)3/h4-15,18H,16-17,19-21H2,1-3H3,(H,29,32).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-[3-[(4-methylphenyl)methyl-(2-phenoxyacetyl)amino]phenyl]acetamide?
N-[2-(dimethylamino)ethyl]-2-[3-[(4-methylphenyl)methyl-(2-phenoxyacetyl)amino]phenyl]acetamide has a molecular weight of 459.59 g/mol, XLogP of 3.83, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-[3-[(4-methylphenyl)methyl-(2-phenoxyacetyl)amino]phenyl]acetamide is sourced from PubChem (CID 46057198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).