N-[4-(diethylamino)-2-methylphenyl]-2-(3-phenylpropylamino)acetamide

C22H31N3O — CID 109005120

IUPACN-[4-(diethylamino)-2-methylphenyl]-2-(3-phenylpropylamino)acetamide
SMILESCCN(CC)c1ccc(NC(=O)CNCCCc2ccccc2)c(C)c1
InChIInChI=1S/C22H31N3O/c1-4-25(5-2)20-13-14-21(18(3)16-20)24-22(26)17-23-15-9-12-19-10-7-6-8-11-19/h6-8,10-11,13-14,16,23H,4-5,9,12,15,17H2,1-3H3,(H,24,26)
InChIKeyHLDOQYCXOFPRFN-UHFFFAOYSA-N
MW353.51 g/mol
LogP4.00
Rot. Bonds10

About N-[4-(diethylamino)-2-methylphenyl]-2-(3-phenylpropylamino)acetamide

N-[4-(diethylamino)-2-methylphenyl]-2-(3-phenylpropylamino)acetamide (PubChem CID 109005120) has the molecular formula C22H31N3O and a molecular weight of 353.51 g/mol. Its IUPAC name is N-[4-(diethylamino)-2-methylphenyl]-2-(3-phenylpropylamino)acetamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-2-methylphenyl]-2-(3-phenylpropylamino)acetamide
PubChem CID109005120
Molecular FormulaC22H31N3O
Molecular Weight353.51 g/mol
Exact Mass353.25
IUPAC NameN-[4-(diethylamino)-2-methylphenyl]-2-(3-phenylpropylamino)acetamide
SMILESCCN(CC)c1ccc(NC(=O)CNCCCc2ccccc2)c(C)c1
InChIInChI=1S/C22H31N3O/c1-4-25(5-2)20-13-14-21(18(3)16-20)24-22(26)17-23-15-9-12-19-10-7-6-8-11-19/h6-8,10-11,13-14,16,23H,4-5,9,12,15,17H2,1-3H3,(H,24,26)
InChIKeyHLDOQYCXOFPRFN-UHFFFAOYSA-N
XLogP4.00
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(diethylamino)-2-methylphenyl]-2-[2-(4-methoxyphenyl)ethylamino]acetamide
CID 109001260
N-[4-(diethylamino)-2-methylphenyl]-2-[2-(1H-indol-3-yl)ethylamino]acetamide
CID 109002411
N-[4-(diethylamino)-2-methylphenyl]-2-[(2-fluorophenyl)methylamino]acetamide
CID 108997613
N-[4-(diethylamino)-2-methylphenyl]-N'-(2-ethylphenyl)propanediamide
CID 108953999
N-[4-(diethylamino)-2-methylphenyl]-2-(pyridin-4-ylmethylamino)acetamide
CID 108999729
N-[4-(diethylamino)-2-methylphenyl]-N',N'-diethylpropanediamide
CID 108951161
1-benzyl-3-[4-(diethylamino)-2-methylphenyl]urea chloride
CID 108871335
N-[4-(diethylamino)-2-methylphenyl]-N'-(1-phenylethyl)propanediamide
CID 108946023
N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 837078
1-[4-(diethylamino)-2-methylphenyl]-3-phenylurea
CID 46859691
N'-(4-chloro-2-methylphenyl)-N-[4-(diethylamino)-2-methylphenyl]propanediamide
CID 108955230
N-[4-(diethylamino)-2-methylphenyl]-3-[(2-methylphenyl)methylamino]propanamide
CID 109019401

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-2-(3-phenylpropylamino)acetamide?
The IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-2-(3-phenylpropylamino)acetamide (CID 109005120) is N-[4-(diethylamino)-2-methylphenyl]-2-(3-phenylpropylamino)acetamide.
What is the SMILES notation for N-[4-(diethylamino)-2-methylphenyl]-2-(3-phenylpropylamino)acetamide?
The canonical SMILES for N-[4-(diethylamino)-2-methylphenyl]-2-(3-phenylpropylamino)acetamide is CCN(CC)c1ccc(NC(=O)CNCCCc2ccccc2)c(C)c1.
What is the InChIKey of N-[4-(diethylamino)-2-methylphenyl]-2-(3-phenylpropylamino)acetamide?
The InChIKey is HLDOQYCXOFPRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O/c1-4-25(5-2)20-13-14-21(18(3)16-20)24-22(26)17-23-15-9-12-19-10-7-6-8-11-19/h6-8,10-11,13-14,16,23H,4-5,9,12,15,17H2,1-3H3,(H,24,26).
What are the key properties of N-[4-(diethylamino)-2-methylphenyl]-2-(3-phenylpropylamino)acetamide?
N-[4-(diethylamino)-2-methylphenyl]-2-(3-phenylpropylamino)acetamide has a molecular weight of 353.51 g/mol, XLogP of 4.00, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-2-methylphenyl]-2-(3-phenylpropylamino)acetamide is sourced from PubChem (CID 109005120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).