N-[4-(diethylamino)phenyl]-2-(3,4-dimethylanilino)acetamide

C20H27N3O — CID 109007429

IUPACN-[4-(diethylamino)phenyl]-2-(3,4-dimethylanilino)acetamide
SMILESCCN(CC)c1ccc(NC(=O)CNc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C20H27N3O/c1-5-23(6-2)19-11-9-17(10-12-19)22-20(24)14-21-18-8-7-15(3)16(4)13-18/h7-13,21H,5-6,14H2,1-4H3,(H,22,24)
InChIKeyDJTAQVPYUOWELY-UHFFFAOYSA-N
MW325.46 g/mol
LogP4.20
Rot. Bonds7

About N-[4-(diethylamino)phenyl]-2-(3,4-dimethylanilino)acetamide

N-[4-(diethylamino)phenyl]-2-(3,4-dimethylanilino)acetamide (PubChem CID 109007429) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-2-(3,4-dimethylanilino)acetamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-2-(3,4-dimethylanilino)acetamide
PubChem CID109007429
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC NameN-[4-(diethylamino)phenyl]-2-(3,4-dimethylanilino)acetamide
SMILESCCN(CC)c1ccc(NC(=O)CNc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C20H27N3O/c1-5-23(6-2)19-11-9-17(10-12-19)22-20(24)14-21-18-8-7-15(3)16(4)13-18/h7-13,21H,5-6,14H2,1-4H3,(H,22,24)
InChIKeyDJTAQVPYUOWELY-UHFFFAOYSA-N
XLogP4.20
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 54.20
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

N-[4-(diethylamino)-2-methylphenyl]-2-(3,4-dimethylanilino)acetamide
CID 109007443
2-[4-(diethylamino)anilino]-N-[4-(diethylamino)phenyl]acetamide
CID 109010373
2-[4-(diethylamino)anilino]-N-phenylacetamide
CID 70365941
3-[N-acetyl-4-(diethylamino)anilino]-N-(3,4-dimethylphenyl)propanamide
CID 113131889
N-[4-(diethylamino)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 109009742
2-[4-(diethylamino)anilino]-N-(2-methylphenyl)acetamide
CID 109007146
N-[4-(diethylamino)phenyl]-2-(propylamino)acetamide
CID 60648364
2-(3-chloro-4-methylanilino)-N-[4-(diethylamino)-2-methylphenyl]acetamide
CID 109008653
N-(3-chloro-4-methoxyphenyl)-2-[4-(diethylamino)anilino]acetamide
CID 109008840
N-[4-(diethylamino)phenyl]-2-(ethylamino)acetamide
CID 60641172
2-(3,4-dimethylanilino)-N-methylacetamide
CID 28580460
N-(4-bromo-3-methylphenyl)-2-(3,4-dimethylanilino)acetamide
CID 109007435

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-2-(3,4-dimethylanilino)acetamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-2-(3,4-dimethylanilino)acetamide (CID 109007429) is N-[4-(diethylamino)phenyl]-2-(3,4-dimethylanilino)acetamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-2-(3,4-dimethylanilino)acetamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-2-(3,4-dimethylanilino)acetamide is CCN(CC)c1ccc(NC(=O)CNc2ccc(C)c(C)c2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-2-(3,4-dimethylanilino)acetamide?
The InChIKey is DJTAQVPYUOWELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-5-23(6-2)19-11-9-17(10-12-19)22-20(24)14-21-18-8-7-15(3)16(4)13-18/h7-13,21H,5-6,14H2,1-4H3,(H,22,24).
What are the key properties of N-[4-(diethylamino)phenyl]-2-(3,4-dimethylanilino)acetamide?
N-[4-(diethylamino)phenyl]-2-(3,4-dimethylanilino)acetamide has a molecular weight of 325.46 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-2-(3,4-dimethylanilino)acetamide is sourced from PubChem (CID 109007429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).