N-[4-(diethylamino)-2-methylphenyl]-2-[2-(4-methoxyphenyl)ethylamino]acetamide

C22H31N3O2 — CID 109001260

IUPACN-[4-(diethylamino)-2-methylphenyl]-2-[2-(4-methoxyphenyl)ethylamino]acetamide
SMILESCCN(CC)c1ccc(NC(=O)CNCCc2ccc(OC)cc2)c(C)c1
InChIInChI=1S/C22H31N3O2/c1-5-25(6-2)19-9-12-21(17(3)15-19)24-22(26)16-23-14-13-18-7-10-20(27-4)11-8-18/h7-12,15,23H,5-6,13-14,16H2,1-4H3,(H,24,26)
InChIKeyFQSXDNQFWBUADH-UHFFFAOYSA-N
MW369.51 g/mol
LogP3.62
Rot. Bonds10

About N-[4-(diethylamino)-2-methylphenyl]-2-[2-(4-methoxyphenyl)ethylamino]acetamide

N-[4-(diethylamino)-2-methylphenyl]-2-[2-(4-methoxyphenyl)ethylamino]acetamide (PubChem CID 109001260) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is N-[4-(diethylamino)-2-methylphenyl]-2-[2-(4-methoxyphenyl)ethylamino]acetamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-2-methylphenyl]-2-[2-(4-methoxyphenyl)ethylamino]acetamide
PubChem CID109001260
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC NameN-[4-(diethylamino)-2-methylphenyl]-2-[2-(4-methoxyphenyl)ethylamino]acetamide
SMILESCCN(CC)c1ccc(NC(=O)CNCCc2ccc(OC)cc2)c(C)c1
InChIInChI=1S/C22H31N3O2/c1-5-25(6-2)19-9-12-21(17(3)15-19)24-22(26)16-23-14-13-18-7-10-20(27-4)11-8-18/h7-12,15,23H,5-6,13-14,16H2,1-4H3,(H,24,26)
InChIKeyFQSXDNQFWBUADH-UHFFFAOYSA-N
XLogP3.62
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(3-phenylpropylamino)acetamide
CID 109005120
N-[4-(diethylamino)-2-methylphenyl]-N'-(2,5-dimethoxyphenyl)propanediamide
CID 108955947
N-[4-(diethylamino)-2-methylphenyl]-2-(2,4-dimethoxyanilino)acetamide
CID 109009543
1-[4-(diethylamino)-2-methylphenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 108868243
N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-3,5-dimethoxybenzamide
CID 113001657
N-[4-(diethylamino)phenyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide
CID 109000949
2-[2-(4-methoxyphenyl)ethylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 109001188
methyl N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 113098982
N-[4-(diethylamino)-2-methylphenyl]-2-[2-(1H-indol-3-yl)ethylamino]acetamide
CID 109002411
N-[4-(diethylamino)-2-methylphenyl]-2-(pyridin-4-ylmethylamino)acetamide
CID 108999729
N'-[4-(diethylamino)-2-methylphenyl]-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108503202
1-(4-methoxyphenyl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 22889588

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-2-[2-(4-methoxyphenyl)ethylamino]acetamide?
The IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-2-[2-(4-methoxyphenyl)ethylamino]acetamide (CID 109001260) is N-[4-(diethylamino)-2-methylphenyl]-2-[2-(4-methoxyphenyl)ethylamino]acetamide.
What is the SMILES notation for N-[4-(diethylamino)-2-methylphenyl]-2-[2-(4-methoxyphenyl)ethylamino]acetamide?
The canonical SMILES for N-[4-(diethylamino)-2-methylphenyl]-2-[2-(4-methoxyphenyl)ethylamino]acetamide is CCN(CC)c1ccc(NC(=O)CNCCc2ccc(OC)cc2)c(C)c1.
What is the InChIKey of N-[4-(diethylamino)-2-methylphenyl]-2-[2-(4-methoxyphenyl)ethylamino]acetamide?
The InChIKey is FQSXDNQFWBUADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-5-25(6-2)19-9-12-21(17(3)15-19)24-22(26)16-23-14-13-18-7-10-20(27-4)11-8-18/h7-12,15,23H,5-6,13-14,16H2,1-4H3,(H,24,26).
What are the key properties of N-[4-(diethylamino)-2-methylphenyl]-2-[2-(4-methoxyphenyl)ethylamino]acetamide?
N-[4-(diethylamino)-2-methylphenyl]-2-[2-(4-methoxyphenyl)ethylamino]acetamide has a molecular weight of 369.51 g/mol, XLogP of 3.62, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-2-methylphenyl]-2-[2-(4-methoxyphenyl)ethylamino]acetamide is sourced from PubChem (CID 109001260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).