2-amino-N-methyl-N-[[3-[4-(6-phenylhexanoyl)phenyl]phenyl]methyl]acetamide

C28H32N2O2 — CID 161031506

IUPAC2-amino-N-methyl-N-[[3-[4-(6-phenylhexanoyl)phenyl]phenyl]methyl]acetamide
SMILESCN(Cc1cccc(-c2ccc(C(=O)CCCCCc3ccccc3)cc2)c1)C(=O)CN
InChIInChI=1S/C28H32N2O2/c1-30(28(32)20-29)21-23-12-8-13-26(19-23)24-15-17-25(18-16-24)27(31)14-7-3-6-11-22-9-4-2-5-10-22/h2,4-5,8-10,12-13,15-19H,3,6-7,11,14,20-21,29H2,1H3
InChIKeyTZRJHNBQXBVRJR-UHFFFAOYSA-N
MW428.58 g/mol
LogP5.26
Rot. Bonds11

About 2-amino-N-methyl-N-[[3-[4-(6-phenylhexanoyl)phenyl]phenyl]methyl]acetamide

2-amino-N-methyl-N-[[3-[4-(6-phenylhexanoyl)phenyl]phenyl]methyl]acetamide (PubChem CID 161031506) has the molecular formula C28H32N2O2 and a molecular weight of 428.58 g/mol. Its IUPAC name is 2-amino-N-methyl-N-[[3-[4-(6-phenylhexanoyl)phenyl]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-[[3-[4-(6-phenylhexanoyl)phenyl]phenyl]methyl]acetamide
PubChem CID161031506
Molecular FormulaC28H32N2O2
Molecular Weight428.58 g/mol
Exact Mass428.25
IUPAC Name2-amino-N-methyl-N-[[3-[4-(6-phenylhexanoyl)phenyl]phenyl]methyl]acetamide
SMILESCN(Cc1cccc(-c2ccc(C(=O)CCCCCc3ccccc3)cc2)c1)C(=O)CN
InChIInChI=1S/C28H32N2O2/c1-30(28(32)20-29)21-23-12-8-13-26(19-23)24-15-17-25(18-16-24)27(31)14-7-3-6-11-22-9-4-2-5-10-22/h2,4-5,8-10,12-13,15-19H,3,6-7,11,14,20-21,29H2,1H3
InChIKeyTZRJHNBQXBVRJR-UHFFFAOYSA-N
XLogP5.26
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.58
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[[3-(4-benzoylphenyl)phenyl]methyl]-N-methylacetamide
CID 70572253
2-amino-N-[[3-(4-fluorophenyl)phenyl]methyl]-N-methylacetamide
CID 70572290
2-amino-N-[[3-[4-(2-cyclopentylacetyl)phenyl]phenyl]methyl]-N-methylacetamide
CID 153179413
2-amino-N-[[3-[4-(dimethylamino)phenyl]phenyl]methyl]-N-methylacetamide;oxalic acid
CID 134137520
N-hydroxy-4-[3-(6-oxo-6-phenylhexyl)phenyl]benzamide
CID 142273250
4-[3-[[(2-aminoacetyl)-methylamino]methyl]phenyl]-N-[[2-(dimethylamino)phenyl]methyl]benzamide
CID 70584009
2-amino-N-[[3-[4-(diethylaminomethyl)phenyl]phenyl]methyl]-N-methylacetamide;dihydrochloride
CID 134138777
N-[4-[3-[[(2-aminoacetyl)-methylamino]methyl]phenyl]phenyl]-3-hydroxypropanamide
CID 70572054
2-amino-N-methyl-N-(4-phenylbutyl)acetamide
CID 60946836
4-[3-[[benzyl(3-phenylpropanoyl)amino]methyl]phenyl]benzoic acid
CID 11705513
2-amino-N-[[3-[6-(dimethylamino)-3-pyridinyl]phenyl]methyl]-N-methylacetamide
CID 70572704
2-amino-N-methyl-N-(3-phenylpropyl)acetamide
CID 43588759

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-[[3-[4-(6-phenylhexanoyl)phenyl]phenyl]methyl]acetamide?
The IUPAC name of 2-amino-N-methyl-N-[[3-[4-(6-phenylhexanoyl)phenyl]phenyl]methyl]acetamide (CID 161031506) is 2-amino-N-methyl-N-[[3-[4-(6-phenylhexanoyl)phenyl]phenyl]methyl]acetamide.
What is the SMILES notation for 2-amino-N-methyl-N-[[3-[4-(6-phenylhexanoyl)phenyl]phenyl]methyl]acetamide?
The canonical SMILES for 2-amino-N-methyl-N-[[3-[4-(6-phenylhexanoyl)phenyl]phenyl]methyl]acetamide is CN(Cc1cccc(-c2ccc(C(=O)CCCCCc3ccccc3)cc2)c1)C(=O)CN.
What is the InChIKey of 2-amino-N-methyl-N-[[3-[4-(6-phenylhexanoyl)phenyl]phenyl]methyl]acetamide?
The InChIKey is TZRJHNBQXBVRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O2/c1-30(28(32)20-29)21-23-12-8-13-26(19-23)24-15-17-25(18-16-24)27(31)14-7-3-6-11-22-9-4-2-5-10-22/h2,4-5,8-10,12-13,15-19H,3,6-7,11,14,20-21,29H2,1H3.
What are the key properties of 2-amino-N-methyl-N-[[3-[4-(6-phenylhexanoyl)phenyl]phenyl]methyl]acetamide?
2-amino-N-methyl-N-[[3-[4-(6-phenylhexanoyl)phenyl]phenyl]methyl]acetamide has a molecular weight of 428.58 g/mol, XLogP of 5.26, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-[[3-[4-(6-phenylhexanoyl)phenyl]phenyl]methyl]acetamide is sourced from PubChem (CID 161031506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).