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

C21H29N3O — CID 108997011

IUPAC2-[4-(diethylamino)-2-methylanilino]-N-[(3-methylphenyl)methyl]acetamide
SMILESCCN(CC)c1ccc(NCC(=O)NCc2cccc(C)c2)c(C)c1
InChIInChI=1S/C21H29N3O/c1-5-24(6-2)19-10-11-20(17(4)13-19)22-15-21(25)23-14-18-9-7-8-16(3)12-18/h7-13,22H,5-6,14-15H2,1-4H3,(H,23,25)
InChIKeyCWKHDIBSYYXWPX-UHFFFAOYSA-N
MW339.48 g/mol
LogP3.88
Rot. Bonds8

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

2-[4-(diethylamino)-2-methylanilino]-N-[(3-methylphenyl)methyl]acetamide (PubChem CID 108997011) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is 2-[4-(diethylamino)-2-methylanilino]-N-[(3-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(diethylamino)-2-methylanilino]-N-[(3-methylphenyl)methyl]acetamide
PubChem CID108997011
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC Name2-[4-(diethylamino)-2-methylanilino]-N-[(3-methylphenyl)methyl]acetamide
SMILESCCN(CC)c1ccc(NCC(=O)NCc2cccc(C)c2)c(C)c1
InChIInChI=1S/C21H29N3O/c1-5-24(6-2)19-10-11-20(17(4)13-19)22-15-21(25)23-14-18-9-7-8-16(3)12-18/h7-13,22H,5-6,14-15H2,1-4H3,(H,23,25)
InChIKeyCWKHDIBSYYXWPX-UHFFFAOYSA-N
XLogP3.88
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(diethylamino)-2-methylanilino]-N-[2-(dimethylamino)ethyl]acetamide
CID 108994734
2-[4-(diethylamino)-2-methylanilino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 109000586
N-[(3-methylphenyl)methyl]-2-(2,4,6-trimethylanilino)acetamide
CID 108996939
2-(2-ethyl-6-methylanilino)-N-[(3-methylphenyl)methyl]acetamide
CID 108996936
1-N-[(3-chlorophenyl)methyl]-4-N,4-N-diethyl-2-methylbenzene-1,4-diamine
CID 4711574
2-(methylamino)-N-[(3-methylphenyl)methyl]acetamide
CID 60913954
1-benzyl-3-[4-(diethylamino)-2-methylphenyl]urea chloride
CID 108871335
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(diethylamino)-2-methylanilino]acetamide
CID 108993988
2-(4-fluoro-2-methylanilino)-N-[(3-methoxyphenyl)methyl]acetamide
CID 31525932
2-fluoro-N-[(3-methylphenyl)methyl]acetamide
CID 130011767
2-(3,4-difluoroanilino)-N-[(3-methylphenyl)methyl]acetamide
CID 108997018
4-(diethylamino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210192

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylamino)-2-methylanilino]-N-[(3-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[4-(diethylamino)-2-methylanilino]-N-[(3-methylphenyl)methyl]acetamide (CID 108997011) is 2-[4-(diethylamino)-2-methylanilino]-N-[(3-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-(diethylamino)-2-methylanilino]-N-[(3-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[4-(diethylamino)-2-methylanilino]-N-[(3-methylphenyl)methyl]acetamide is CCN(CC)c1ccc(NCC(=O)NCc2cccc(C)c2)c(C)c1.
What is the InChIKey of 2-[4-(diethylamino)-2-methylanilino]-N-[(3-methylphenyl)methyl]acetamide?
The InChIKey is CWKHDIBSYYXWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c1-5-24(6-2)19-10-11-20(17(4)13-19)22-15-21(25)23-14-18-9-7-8-16(3)12-18/h7-13,22H,5-6,14-15H2,1-4H3,(H,23,25).
What are the key properties of 2-[4-(diethylamino)-2-methylanilino]-N-[(3-methylphenyl)methyl]acetamide?
2-[4-(diethylamino)-2-methylanilino]-N-[(3-methylphenyl)methyl]acetamide has a molecular weight of 339.48 g/mol, XLogP of 3.88, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylamino)-2-methylanilino]-N-[(3-methylphenyl)methyl]acetamide is sourced from PubChem (CID 108997011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).