2-[benzyl(methyl)amino]-N-[4-(3-phenylpropoxy)phenyl]acetamide

C25H28N2O2 — CID 54809010

IUPAC2-[benzyl(methyl)amino]-N-[4-(3-phenylpropoxy)phenyl]acetamide
SMILESCN(CC(=O)Nc1ccc(OCCCc2ccccc2)cc1)Cc1ccccc1
InChIInChI=1S/C25H28N2O2/c1-27(19-22-11-6-3-7-12-22)20-25(28)26-23-14-16-24(17-15-23)29-18-8-13-21-9-4-2-5-10-21/h2-7,9-12,14-17H,8,13,18-20H2,1H3,(H,26,28)
InChIKeyIBDBYJOTLOIKKZ-UHFFFAOYSA-N
MW388.51 g/mol
LogP4.77
Rot. Bonds10

About 2-[benzyl(methyl)amino]-N-[4-(3-phenylpropoxy)phenyl]acetamide

2-[benzyl(methyl)amino]-N-[4-(3-phenylpropoxy)phenyl]acetamide (PubChem CID 54809010) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-N-[4-(3-phenylpropoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-N-[4-(3-phenylpropoxy)phenyl]acetamide
PubChem CID54809010
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC Name2-[benzyl(methyl)amino]-N-[4-(3-phenylpropoxy)phenyl]acetamide
SMILESCN(CC(=O)Nc1ccc(OCCCc2ccccc2)cc1)Cc1ccccc1
InChIInChI=1S/C25H28N2O2/c1-27(19-22-11-6-3-7-12-22)20-25(28)26-23-14-16-24(17-15-23)29-18-8-13-21-9-4-2-5-10-21/h2-7,9-12,14-17H,8,13,18-20H2,1H3,(H,26,28)
InChIKeyIBDBYJOTLOIKKZ-UHFFFAOYSA-N
XLogP4.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.77
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-[(4-tert-butylphenyl)methyl-methylamino]-N-(4-phenylmethoxyphenyl)acetamide
CID 2552725
3-[4-[[2-[benzyl(methyl)amino]acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54811380
N-(4-acetamidophenyl)-2-[4-(3-phenylpropoxy)anilino]acetamide
CID 54825334
N-(4-chlorophenyl)-2-[methyl(3-phenoxypropyl)amino]acetamide
CID 9040068
N-[4-(4-phenylbutoxy)phenyl]acetamide
CID 143188438
N,N-dimethyl-4-[[2-[4-(3-phenylpropoxy)anilino]acetyl]amino]benzamide
CID 54825579
4-[[2-[benzyl(methyl)amino]acetyl]amino]-N,N-dimethylbenzamide
CID 8900899
2-[benzyl(methyl)amino]-N-[4-(diethylamino)phenyl]acetamide
CID 27133835
N-[4-[acetyl(methyl)amino]phenyl]-2-[4-(3-phenylpropoxy)anilino]acetamide
CID 54825570
N-[4-(3-phenylpropoxy)phenyl]benzamide
CID 17130114
2-(4-chlorophenyl)-N-[4-(3-phenylpropoxy)phenyl]acetamide
CID 17130169
2-(2,6-dimethylphenoxy)-N-[4-(3-phenylpropoxy)phenyl]acetamide
CID 17130083

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-N-[4-(3-phenylpropoxy)phenyl]acetamide?
The IUPAC name of 2-[benzyl(methyl)amino]-N-[4-(3-phenylpropoxy)phenyl]acetamide (CID 54809010) is 2-[benzyl(methyl)amino]-N-[4-(3-phenylpropoxy)phenyl]acetamide.
What is the SMILES notation for 2-[benzyl(methyl)amino]-N-[4-(3-phenylpropoxy)phenyl]acetamide?
The canonical SMILES for 2-[benzyl(methyl)amino]-N-[4-(3-phenylpropoxy)phenyl]acetamide is CN(CC(=O)Nc1ccc(OCCCc2ccccc2)cc1)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(methyl)amino]-N-[4-(3-phenylpropoxy)phenyl]acetamide?
The InChIKey is IBDBYJOTLOIKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-27(19-22-11-6-3-7-12-22)20-25(28)26-23-14-16-24(17-15-23)29-18-8-13-21-9-4-2-5-10-21/h2-7,9-12,14-17H,8,13,18-20H2,1H3,(H,26,28).
What are the key properties of 2-[benzyl(methyl)amino]-N-[4-(3-phenylpropoxy)phenyl]acetamide?
2-[benzyl(methyl)amino]-N-[4-(3-phenylpropoxy)phenyl]acetamide has a molecular weight of 388.51 g/mol, XLogP of 4.77, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-N-[4-(3-phenylpropoxy)phenyl]acetamide is sourced from PubChem (CID 54809010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).