N-[4-(diethylamino)-2-methylphenyl]-2-(4-propan-2-yloxyanilino)acetamide

C22H31N3O2 — CID 109009396

IUPACN-[4-(diethylamino)-2-methylphenyl]-2-(4-propan-2-yloxyanilino)acetamide
SMILESCCN(CC)c1ccc(NC(=O)CNc2ccc(OC(C)C)cc2)c(C)c1
InChIInChI=1S/C22H31N3O2/c1-6-25(7-2)19-10-13-21(17(5)14-19)24-22(26)15-23-18-8-11-20(12-9-18)27-16(3)4/h8-14,16,23H,6-7,15H2,1-5H3,(H,24,26)
InChIKeyURJSCPMMHSFZIW-UHFFFAOYSA-N
MW369.51 g/mol
LogP4.68
Rot. Bonds9

About N-[4-(diethylamino)-2-methylphenyl]-2-(4-propan-2-yloxyanilino)acetamide

N-[4-(diethylamino)-2-methylphenyl]-2-(4-propan-2-yloxyanilino)acetamide (PubChem CID 109009396) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is N-[4-(diethylamino)-2-methylphenyl]-2-(4-propan-2-yloxyanilino)acetamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-2-methylphenyl]-2-(4-propan-2-yloxyanilino)acetamide
PubChem CID109009396
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC NameN-[4-(diethylamino)-2-methylphenyl]-2-(4-propan-2-yloxyanilino)acetamide
SMILESCCN(CC)c1ccc(NC(=O)CNc2ccc(OC(C)C)cc2)c(C)c1
InChIInChI=1S/C22H31N3O2/c1-6-25(7-2)19-10-13-21(17(5)14-19)24-22(26)15-23-18-8-11-20(12-9-18)27-16(3)4/h8-14,16,23H,6-7,15H2,1-5H3,(H,24,26)
InChIKeyURJSCPMMHSFZIW-UHFFFAOYSA-N
XLogP4.68
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 54.68
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': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(diethylamino)-2-methylphenyl]-2-(3,4-dimethylanilino)acetamide
CID 109007443
2-(3-chloro-4-methylanilino)-N-[4-(diethylamino)-2-methylphenyl]acetamide
CID 109008653
N-[4-(diethylamino)-2-methylphenyl]-2-(2,4-dimethoxyanilino)acetamide
CID 109009543
N-[4-(diethylamino)-2-methylphenyl]-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108955868
(2R)-N-[4-(diethylamino)-2-methylphenyl]-2-(4-methylphenoxy)propanamide
CID 837387
2-[4-(diethylamino)anilino]-N-(2-methylphenyl)acetamide
CID 109007146
N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-3-methylbutanamide
CID 113001640
2-[4-(diethylamino)anilino]-N-[4-(diethylamino)phenyl]acetamide
CID 109010373
methyl 4-[[3-[4-(diethylamino)-2-methylanilino]-3-oxopropyl]amino]benzoate
CID 109041546
N-(5-chloro-2-methylphenyl)-2-(4-propan-2-yloxyanilino)acetamide
CID 54822319
N-[4-[[2-(4-propan-2-yloxyanilino)acetyl]amino]phenyl]propanamide
CID 54822614
N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 837078

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-2-(4-propan-2-yloxyanilino)acetamide?
The IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-2-(4-propan-2-yloxyanilino)acetamide (CID 109009396) is N-[4-(diethylamino)-2-methylphenyl]-2-(4-propan-2-yloxyanilino)acetamide.
What is the SMILES notation for N-[4-(diethylamino)-2-methylphenyl]-2-(4-propan-2-yloxyanilino)acetamide?
The canonical SMILES for N-[4-(diethylamino)-2-methylphenyl]-2-(4-propan-2-yloxyanilino)acetamide is CCN(CC)c1ccc(NC(=O)CNc2ccc(OC(C)C)cc2)c(C)c1.
What is the InChIKey of N-[4-(diethylamino)-2-methylphenyl]-2-(4-propan-2-yloxyanilino)acetamide?
The InChIKey is URJSCPMMHSFZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-6-25(7-2)19-10-13-21(17(5)14-19)24-22(26)15-23-18-8-11-20(12-9-18)27-16(3)4/h8-14,16,23H,6-7,15H2,1-5H3,(H,24,26).
What are the key properties of N-[4-(diethylamino)-2-methylphenyl]-2-(4-propan-2-yloxyanilino)acetamide?
N-[4-(diethylamino)-2-methylphenyl]-2-(4-propan-2-yloxyanilino)acetamide has a molecular weight of 369.51 g/mol, XLogP of 4.68, 9 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-(4-propan-2-yloxyanilino)acetamide is sourced from PubChem (CID 109009396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).