N-[[4-(dimethylamino)phenyl]methyl]-2-phenyl-N-(2-phenylethyl)acetamide

C25H28N2O — CID 42706280

IUPACN-[[4-(dimethylamino)phenyl]methyl]-2-phenyl-N-(2-phenylethyl)acetamide
SMILESCN(C)c1ccc(CN(CCc2ccccc2)C(=O)Cc2ccccc2)cc1
InChIInChI=1S/C25H28N2O/c1-26(2)24-15-13-23(14-16-24)20-27(18-17-21-9-5-3-6-10-21)25(28)19-22-11-7-4-8-12-22/h3-16H,17-20H2,1-2H3
InChIKeyVHACRQOMGVMMHH-UHFFFAOYSA-N
MW372.51 g/mol
LogP4.57
Rot. Bonds8

About N-[[4-(dimethylamino)phenyl]methyl]-2-phenyl-N-(2-phenylethyl)acetamide

N-[[4-(dimethylamino)phenyl]methyl]-2-phenyl-N-(2-phenylethyl)acetamide (PubChem CID 42706280) has the molecular formula C25H28N2O and a molecular weight of 372.51 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-2-phenyl-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-2-phenyl-N-(2-phenylethyl)acetamide
PubChem CID42706280
Molecular FormulaC25H28N2O
Molecular Weight372.51 g/mol
Exact Mass372.22
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-2-phenyl-N-(2-phenylethyl)acetamide
SMILESCN(C)c1ccc(CN(CCc2ccccc2)C(=O)Cc2ccccc2)cc1
InChIInChI=1S/C25H28N2O/c1-26(2)24-15-13-23(14-16-24)20-27(18-17-21-9-5-3-6-10-21)25(28)19-22-11-7-4-8-12-22/h3-16H,17-20H2,1-2H3
InChIKeyVHACRQOMGVMMHH-UHFFFAOYSA-N
XLogP4.57
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

N-hydroxy-4-[[(2-phenylacetyl)-(2-phenylethyl)amino]methyl]benzamide
CID 147494656
2-(4-chlorophenyl)-N-(2-phenylethyl)-N-(pyridin-4-ylmethyl)acetamide
CID 51131658
N-benzyl-3-phenyl-N-(2-phenylethyl)propanamide
CID 42775856
N-benzyl-2-(3-methoxyphenyl)-N-(2-phenylethyl)acetamide
CID 55331004
N-benzyl-2-methylsulfanyl-N-(2-phenylethyl)acetamide
CID 112791256
N-[2-[[4-(dimethylamino)phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2-phenyl-N-propan-2-ylacetamide
CID 4620268
N-benzyl-N-(2-phenylethyl)pentanamide
CID 112791262
2-[benzyl(dimethylcarbamoyl)amino]-N-[[4-(dimethylamino)phenyl]methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 5038394
N-[[4-(dimethylamino)phenyl]methyl]-N-[2-(1H-indol-3-yl)ethyl]-2-[(2-phenoxyacetyl)-(2-phenylethyl)amino]acetamide
CID 42777852
3-amino-N-benzyl-N-(2-phenylethyl)butanamide
CID 119675960
N-(2-aminoethyl)-2-(4-ethylphenyl)-N-(2-phenylethyl)acetamide;hydrochloride
CID 120886907
[4-(2-hydroxyethyl)phenyl]methyl-(2-phenylethyl)carbamic acid
CID 143540214

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2-phenyl-N-(2-phenylethyl)acetamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2-phenyl-N-(2-phenylethyl)acetamide (CID 42706280) is N-[[4-(dimethylamino)phenyl]methyl]-2-phenyl-N-(2-phenylethyl)acetamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-2-phenyl-N-(2-phenylethyl)acetamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-2-phenyl-N-(2-phenylethyl)acetamide is CN(C)c1ccc(CN(CCc2ccccc2)C(=O)Cc2ccccc2)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-2-phenyl-N-(2-phenylethyl)acetamide?
The InChIKey is VHACRQOMGVMMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O/c1-26(2)24-15-13-23(14-16-24)20-27(18-17-21-9-5-3-6-10-21)25(28)19-22-11-7-4-8-12-22/h3-16H,17-20H2,1-2H3.
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-2-phenyl-N-(2-phenylethyl)acetamide?
N-[[4-(dimethylamino)phenyl]methyl]-2-phenyl-N-(2-phenylethyl)acetamide has a molecular weight of 372.51 g/mol, XLogP of 4.57, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-2-phenyl-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 42706280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).