3-[4-(dimethylamino)anilino]-N-(4-propan-2-ylphenyl)propanamide

C20H27N3O — CID 109036871

IUPAC3-[4-(dimethylamino)anilino]-N-(4-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccc(NC(=O)CCNc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C20H27N3O/c1-15(2)16-5-7-18(8-6-16)22-20(24)13-14-21-17-9-11-19(12-10-17)23(3)4/h5-12,15,21H,13-14H2,1-4H3,(H,22,24)
InChIKeyJGWBGBQMCOJJKG-UHFFFAOYSA-N
MW325.46 g/mol
LogP4.32
Rot. Bonds7

About 3-[4-(dimethylamino)anilino]-N-(4-propan-2-ylphenyl)propanamide

3-[4-(dimethylamino)anilino]-N-(4-propan-2-ylphenyl)propanamide (PubChem CID 109036871) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 3-[4-(dimethylamino)anilino]-N-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name3-[4-(dimethylamino)anilino]-N-(4-propan-2-ylphenyl)propanamide
PubChem CID109036871
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name3-[4-(dimethylamino)anilino]-N-(4-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccc(NC(=O)CCNc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C20H27N3O/c1-15(2)16-5-7-18(8-6-16)22-20(24)13-14-21-17-9-11-19(12-10-17)23(3)4/h5-12,15,21H,13-14H2,1-4H3,(H,22,24)
InChIKeyJGWBGBQMCOJJKG-UHFFFAOYSA-N
XLogP4.32
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 ≤ 54.32
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)phenyl]-3-(4-propan-2-ylanilino)propanamide
CID 109036938
3-(3,5-dimethylanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 109035687
3-(3,4-difluoroanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 109036899
3-(3-chloro-4-fluoroanilino)-N-[4-(dimethylamino)phenyl]propanamide
CID 109038822
N-[4-(dimethylamino)phenyl]-3-(2-methylpropylamino)propanamide
CID 109012874
N-[4-(dimethylamino)phenyl]-4-hydroxypentanamide
CID 79192606
(2R)-2-chloro-N-[3-[4-(dimethylamino)anilino]-3-oxopropyl]propanamide
CID 40803430
3-(3-acetamidoanilino)-N-[4-(dimethylamino)phenyl]propanamide
CID 109041146
N-[4-(dimethylamino)phenyl]-3-(ethylamino)propanamide
CID 62832499
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 4-propan-2-ylbenzoate
CID 7969377
2-(4-propan-2-ylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 39448754
N-[4-(dimethylamino)phenyl]-3-(3-methoxyanilino)propanamide
CID 109039563

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)anilino]-N-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of 3-[4-(dimethylamino)anilino]-N-(4-propan-2-ylphenyl)propanamide (CID 109036871) is 3-[4-(dimethylamino)anilino]-N-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 3-[4-(dimethylamino)anilino]-N-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for 3-[4-(dimethylamino)anilino]-N-(4-propan-2-ylphenyl)propanamide is CC(C)c1ccc(NC(=O)CCNc2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 3-[4-(dimethylamino)anilino]-N-(4-propan-2-ylphenyl)propanamide?
The InChIKey is JGWBGBQMCOJJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-15(2)16-5-7-18(8-6-16)22-20(24)13-14-21-17-9-11-19(12-10-17)23(3)4/h5-12,15,21H,13-14H2,1-4H3,(H,22,24).
What are the key properties of 3-[4-(dimethylamino)anilino]-N-(4-propan-2-ylphenyl)propanamide?
3-[4-(dimethylamino)anilino]-N-(4-propan-2-ylphenyl)propanamide has a molecular weight of 325.46 g/mol, XLogP of 4.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)anilino]-N-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 109036871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).