N-[4-(diethylamino)-2-methylphenyl]-3-(2-methoxyanilino)propanamide

C21H29N3O2 — CID 109039466

IUPACN-[4-(diethylamino)-2-methylphenyl]-3-(2-methoxyanilino)propanamide
SMILESCCN(CC)c1ccc(NC(=O)CCNc2ccccc2OC)c(C)c1
InChIInChI=1S/C21H29N3O2/c1-5-24(6-2)17-11-12-18(16(3)15-17)23-21(25)13-14-22-19-9-7-8-10-20(19)26-4/h7-12,15,22H,5-6,13-14H2,1-4H3,(H,23,25)
InChIKeyMSOKPGIVOFTALP-UHFFFAOYSA-N
MW355.48 g/mol
LogP4.29
Rot. Bonds9

About N-[4-(diethylamino)-2-methylphenyl]-3-(2-methoxyanilino)propanamide

N-[4-(diethylamino)-2-methylphenyl]-3-(2-methoxyanilino)propanamide (PubChem CID 109039466) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-[4-(diethylamino)-2-methylphenyl]-3-(2-methoxyanilino)propanamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-2-methylphenyl]-3-(2-methoxyanilino)propanamide
PubChem CID109039466
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC NameN-[4-(diethylamino)-2-methylphenyl]-3-(2-methoxyanilino)propanamide
SMILESCCN(CC)c1ccc(NC(=O)CCNc2ccccc2OC)c(C)c1
InChIInChI=1S/C21H29N3O2/c1-5-24(6-2)17-11-12-18(16(3)15-17)23-21(25)13-14-22-19-9-7-8-10-20(19)26-4/h7-12,15,22H,5-6,13-14H2,1-4H3,(H,23,25)
InChIKeyMSOKPGIVOFTALP-UHFFFAOYSA-N
XLogP4.29
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(diethylamino)-2-methylanilino]-N-(2,3-dimethylphenyl)propanamide
CID 109036004
N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 837078
3-(N-acetyl-2-methoxyanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide
CID 113128858
methyl 4-[[3-[4-(diethylamino)-2-methylanilino]-3-oxopropyl]amino]benzoate
CID 109041546
N-[4-(diethylamino)-2-methylphenyl]-3-(3-fluoroanilino)propanamide
CID 109042083
3-(3-acetamidoanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide
CID 109041180
N-[4-(diethylamino)-2-methylphenyl]-3-(2-methoxyphenyl)sulfonylpropanamide;2,2,2-trifluoroacetic acid
CID 56603869
N-[4-(diethylamino)-2-methylphenyl]-2-(2,4-dimethoxyanilino)acetamide
CID 109009543
N-[4-(diethylamino)-2-methylphenyl]-N'-(2,5-dimethoxyphenyl)propanediamide
CID 108955947
N-(2,4-difluorophenyl)-3-(2-methoxyanilino)propanamide
CID 109039452
N-[4-(diethylamino)-2-methylphenyl]-3-[(2-methylphenyl)methylamino]propanamide
CID 109019401
N-[4-(diethylamino)-2-methylphenyl]-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108955868

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-3-(2-methoxyanilino)propanamide?
The IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-3-(2-methoxyanilino)propanamide (CID 109039466) is N-[4-(diethylamino)-2-methylphenyl]-3-(2-methoxyanilino)propanamide.
What is the SMILES notation for N-[4-(diethylamino)-2-methylphenyl]-3-(2-methoxyanilino)propanamide?
The canonical SMILES for N-[4-(diethylamino)-2-methylphenyl]-3-(2-methoxyanilino)propanamide is CCN(CC)c1ccc(NC(=O)CCNc2ccccc2OC)c(C)c1.
What is the InChIKey of N-[4-(diethylamino)-2-methylphenyl]-3-(2-methoxyanilino)propanamide?
The InChIKey is MSOKPGIVOFTALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-5-24(6-2)17-11-12-18(16(3)15-17)23-21(25)13-14-22-19-9-7-8-10-20(19)26-4/h7-12,15,22H,5-6,13-14H2,1-4H3,(H,23,25).
What are the key properties of N-[4-(diethylamino)-2-methylphenyl]-3-(2-methoxyanilino)propanamide?
N-[4-(diethylamino)-2-methylphenyl]-3-(2-methoxyanilino)propanamide has a molecular weight of 355.48 g/mol, XLogP of 4.29, 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]-3-(2-methoxyanilino)propanamide is sourced from PubChem (CID 109039466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).