N-[4-(diethylamino)-2-methylphenyl]-2-(2,4-dimethoxyanilino)acetamide

C21H29N3O3 — CID 109009543

IUPACN-[4-(diethylamino)-2-methylphenyl]-2-(2,4-dimethoxyanilino)acetamide
SMILESCCN(CC)c1ccc(NC(=O)CNc2ccc(OC)cc2OC)c(C)c1
InChIInChI=1S/C21H29N3O3/c1-6-24(7-2)16-8-10-18(15(3)12-16)23-21(25)14-22-19-11-9-17(26-4)13-20(19)27-5/h8-13,22H,6-7,14H2,1-5H3,(H,23,25)
InChIKeyFFFOWSZYKGEAOL-UHFFFAOYSA-N
MW371.48 g/mol
LogP3.91
Rot. Bonds9

About N-[4-(diethylamino)-2-methylphenyl]-2-(2,4-dimethoxyanilino)acetamide

N-[4-(diethylamino)-2-methylphenyl]-2-(2,4-dimethoxyanilino)acetamide (PubChem CID 109009543) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-[4-(diethylamino)-2-methylphenyl]-2-(2,4-dimethoxyanilino)acetamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-2-methylphenyl]-2-(2,4-dimethoxyanilino)acetamide
PubChem CID109009543
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC NameN-[4-(diethylamino)-2-methylphenyl]-2-(2,4-dimethoxyanilino)acetamide
SMILESCCN(CC)c1ccc(NC(=O)CNc2ccc(OC)cc2OC)c(C)c1
InChIInChI=1S/C21H29N3O3/c1-6-24(7-2)16-8-10-18(15(3)12-16)23-21(25)14-22-19-11-9-17(26-4)13-20(19)27-5/h8-13,22H,6-7,14H2,1-5H3,(H,23,25)
InChIKeyFFFOWSZYKGEAOL-UHFFFAOYSA-N
XLogP3.91
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(diethylamino)-2-methylphenyl]-N'-(2,5-dimethoxyphenyl)propanediamide
CID 108955947
2-(4,5-dimethoxy-2-methylanilino)-N-(2,4-dimethoxyphenyl)acetamide
CID 9105392
N-[4-(diethylamino)-2-methylphenyl]-2-[2-(4-methoxyphenyl)ethylamino]acetamide
CID 109001260
N-[4-(diethylamino)-2-methylphenyl]-2-(3,4-dimethylanilino)acetamide
CID 109007443
N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-3,5-dimethoxybenzamide
CID 113001657
N-[4-(diethylamino)-2-methylphenyl]-2-(4-propan-2-yloxyanilino)acetamide
CID 109009396
N-[4-(diethylamino)-2-methylphenyl]-3-(2-methoxyanilino)propanamide
CID 109039466
4-(diethylamino)-N-(2,4-dimethoxyphenyl)benzamide
CID 9120164
methyl N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 113098982
2-(2,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)acetamide
CID 26438685
N-(2-tert-butylphenyl)-2-(2,4-dimethoxyanilino)acetamide
CID 30567589
1-[4-(diethylamino)-2-methylphenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 108868243

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-2-(2,4-dimethoxyanilino)acetamide?
The IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-2-(2,4-dimethoxyanilino)acetamide (CID 109009543) is N-[4-(diethylamino)-2-methylphenyl]-2-(2,4-dimethoxyanilino)acetamide.
What is the SMILES notation for N-[4-(diethylamino)-2-methylphenyl]-2-(2,4-dimethoxyanilino)acetamide?
The canonical SMILES for N-[4-(diethylamino)-2-methylphenyl]-2-(2,4-dimethoxyanilino)acetamide is CCN(CC)c1ccc(NC(=O)CNc2ccc(OC)cc2OC)c(C)c1.
What is the InChIKey of N-[4-(diethylamino)-2-methylphenyl]-2-(2,4-dimethoxyanilino)acetamide?
The InChIKey is FFFOWSZYKGEAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-6-24(7-2)16-8-10-18(15(3)12-16)23-21(25)14-22-19-11-9-17(26-4)13-20(19)27-5/h8-13,22H,6-7,14H2,1-5H3,(H,23,25).
What are the key properties of N-[4-(diethylamino)-2-methylphenyl]-2-(2,4-dimethoxyanilino)acetamide?
N-[4-(diethylamino)-2-methylphenyl]-2-(2,4-dimethoxyanilino)acetamide has a molecular weight of 371.48 g/mol, XLogP of 3.91, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-2-methylphenyl]-2-(2,4-dimethoxyanilino)acetamide is sourced from PubChem (CID 109009543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).