2-[N-acetyl-4-(dimethylamino)anilino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

C22H29N3O4 — CID 113176699

IUPAC2-[N-acetyl-4-(dimethylamino)anilino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CN(C(C)=O)c2ccc(N(C)C)cc2)cc1OC
InChIInChI=1S/C22H29N3O4/c1-16(26)25(19-9-7-18(8-10-19)24(2)3)15-22(27)23-13-12-17-6-11-20(28-4)21(14-17)29-5/h6-11,14H,12-13,15H2,1-5H3,(H,23,27)
InChIKeyIZZQTBCKIKRQSS-UHFFFAOYSA-N
MW399.49 g/mol
LogP2.48
Rot. Bonds9

About 2-[N-acetyl-4-(dimethylamino)anilino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

2-[N-acetyl-4-(dimethylamino)anilino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide (PubChem CID 113176699) has the molecular formula C22H29N3O4 and a molecular weight of 399.49 g/mol. Its IUPAC name is 2-[N-acetyl-4-(dimethylamino)anilino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[N-acetyl-4-(dimethylamino)anilino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
PubChem CID113176699
Molecular FormulaC22H29N3O4
Molecular Weight399.49 g/mol
Exact Mass399.22
IUPAC Name2-[N-acetyl-4-(dimethylamino)anilino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CN(C(C)=O)c2ccc(N(C)C)cc2)cc1OC
InChIInChI=1S/C22H29N3O4/c1-16(26)25(19-9-7-18(8-10-19)24(2)3)15-22(27)23-13-12-17-6-11-20(28-4)21(14-17)29-5/h6-11,14H,12-13,15H2,1-5H3,(H,23,27)
InChIKeyIZZQTBCKIKRQSS-UHFFFAOYSA-N
XLogP2.48
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[2-[4-(dimethylamino)phenyl]ethyl]acetamide
CID 16889439
2-(N-acetyl-2,4,6-trimethylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 113169973
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(dimethylamino)phenoxy]acetamide
CID 71745859
2-(N-acetyl-3-cyanoanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 113180877
2-(N-acetyl-4-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 113173533
2-[acetyl(cyclopropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 113158352
2-(N-acetyl-3,4-dimethoxyanilino)-N-(2-methoxyethyl)acetamide
CID 113174824
3-[N-acetyl-4-(dimethylamino)anilino]-N-[(3,4-dimethoxyphenyl)methyl]propanamide
CID 113131726
2-(N-acetyl-3-chloro-4-methoxyanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 113172682
2-[acetyl(2-methylpropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 113158865
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 2279376
2-(N-acetyl-3,4-dimethylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 113168283

Frequently Asked Questions

What is the IUPAC name of 2-[N-acetyl-4-(dimethylamino)anilino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[N-acetyl-4-(dimethylamino)anilino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide (CID 113176699) is 2-[N-acetyl-4-(dimethylamino)anilino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[N-acetyl-4-(dimethylamino)anilino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[N-acetyl-4-(dimethylamino)anilino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)CN(C(C)=O)c2ccc(N(C)C)cc2)cc1OC.
What is the InChIKey of 2-[N-acetyl-4-(dimethylamino)anilino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The InChIKey is IZZQTBCKIKRQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4/c1-16(26)25(19-9-7-18(8-10-19)24(2)3)15-22(27)23-13-12-17-6-11-20(28-4)21(14-17)29-5/h6-11,14H,12-13,15H2,1-5H3,(H,23,27).
What are the key properties of 2-[N-acetyl-4-(dimethylamino)anilino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
2-[N-acetyl-4-(dimethylamino)anilino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide has a molecular weight of 399.49 g/mol, XLogP of 2.48, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-acetyl-4-(dimethylamino)anilino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 113176699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).