3-(3,5-dimethylanilino)-N-(4-propan-2-ylphenyl)propanamide

C20H26N2O — CID 109035687

IUPAC3-(3,5-dimethylanilino)-N-(4-propan-2-ylphenyl)propanamide
SMILESCc1cc(C)cc(NCCC(=O)Nc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C20H26N2O/c1-14(2)17-5-7-18(8-6-17)22-20(23)9-10-21-19-12-15(3)11-16(4)13-19/h5-8,11-14,21H,9-10H2,1-4H3,(H,22,23)
InChIKeyGPEPMBAJENEABI-UHFFFAOYSA-N
MW310.44 g/mol
LogP4.87
Rot. Bonds6

About 3-(3,5-dimethylanilino)-N-(4-propan-2-ylphenyl)propanamide

3-(3,5-dimethylanilino)-N-(4-propan-2-ylphenyl)propanamide (PubChem CID 109035687) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 3-(3,5-dimethylanilino)-N-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(3,5-dimethylanilino)-N-(4-propan-2-ylphenyl)propanamide
PubChem CID109035687
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name3-(3,5-dimethylanilino)-N-(4-propan-2-ylphenyl)propanamide
SMILESCc1cc(C)cc(NCCC(=O)Nc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C20H26N2O/c1-14(2)17-5-7-18(8-6-17)22-20(23)9-10-21-19-12-15(3)11-16(4)13-19/h5-8,11-14,21H,9-10H2,1-4H3,(H,22,23)
InChIKeyGPEPMBAJENEABI-UHFFFAOYSA-N
XLogP4.87
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-difluoroanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 109036899
3-[4-(dimethylamino)anilino]-N-(4-propan-2-ylphenyl)propanamide
CID 109036871
N-[4-(diethylamino)phenyl]-3-(4-propan-2-ylanilino)propanamide
CID 109036938
N-(3,5-dimethylphenyl)-3-(4-fluoroanilino)propanamide
CID 109035607
3-(3,5-dimethylanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 109035686
3-[(4-methylphenyl)methylamino]-N-(4-propan-2-ylphenyl)propanamide
CID 109019987
2-(4-propan-2-ylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 39448754
3-(3-chloro-2-methylanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 109036840
N-(3,5-dimethylphenyl)-4-(4-propan-2-ylphenoxy)butanamide
CID 19207272
N-(3-chloro-4-methoxyphenyl)-3-(4-propan-2-ylanilino)propanamide
CID 109036911
3-(4-chloro-2-methoxy-5-methylanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 109036891
N-(4-methylphenyl)-4-oxo-4-(4-propan-2-ylphenyl)butanamide
CID 94322030

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylanilino)-N-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of 3-(3,5-dimethylanilino)-N-(4-propan-2-ylphenyl)propanamide (CID 109035687) is 3-(3,5-dimethylanilino)-N-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 3-(3,5-dimethylanilino)-N-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for 3-(3,5-dimethylanilino)-N-(4-propan-2-ylphenyl)propanamide is Cc1cc(C)cc(NCCC(=O)Nc2ccc(C(C)C)cc2)c1.
What is the InChIKey of 3-(3,5-dimethylanilino)-N-(4-propan-2-ylphenyl)propanamide?
The InChIKey is GPEPMBAJENEABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-14(2)17-5-7-18(8-6-17)22-20(23)9-10-21-19-12-15(3)11-16(4)13-19/h5-8,11-14,21H,9-10H2,1-4H3,(H,22,23).
What are the key properties of 3-(3,5-dimethylanilino)-N-(4-propan-2-ylphenyl)propanamide?
3-(3,5-dimethylanilino)-N-(4-propan-2-ylphenyl)propanamide has a molecular weight of 310.44 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylanilino)-N-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 109035687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).