3-(4-cyanoanilino)-N-[4-(diethylamino)phenyl]propanamide

C20H24N4O — CID 109041719

IUPAC3-(4-cyanoanilino)-N-[4-(diethylamino)phenyl]propanamide
SMILESCCN(CC)c1ccc(NC(=O)CCNc2ccc(C#N)cc2)cc1
InChIInChI=1S/C20H24N4O/c1-3-24(4-2)19-11-9-18(10-12-19)23-20(25)13-14-22-17-7-5-16(15-21)6-8-17/h5-12,22H,3-4,13-14H2,1-2H3,(H,23,25)
InChIKeyQXMINXVCIFODGT-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.85
Rot. Bonds8

About 3-(4-cyanoanilino)-N-[4-(diethylamino)phenyl]propanamide

3-(4-cyanoanilino)-N-[4-(diethylamino)phenyl]propanamide (PubChem CID 109041719) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-(4-cyanoanilino)-N-[4-(diethylamino)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-cyanoanilino)-N-[4-(diethylamino)phenyl]propanamide
PubChem CID109041719
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name3-(4-cyanoanilino)-N-[4-(diethylamino)phenyl]propanamide
SMILESCCN(CC)c1ccc(NC(=O)CCNc2ccc(C#N)cc2)cc1
InChIInChI=1S/C20H24N4O/c1-3-24(4-2)19-11-9-18(10-12-19)23-20(25)13-14-22-17-7-5-16(15-21)6-8-17/h5-12,22H,3-4,13-14H2,1-2H3,(H,23,25)
InChIKeyQXMINXVCIFODGT-UHFFFAOYSA-N
XLogP3.85
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.85
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-acetamidoanilino)-N-(4-cyanophenyl)propanamide
CID 109041283
3-(4-cyanoanilino)-N-(4-ethoxyphenyl)propanamide
CID 109039917
N-[4-(diethylamino)phenyl]-3-(4-propan-2-ylanilino)propanamide
CID 109036938
3-(4-cyanoanilino)-N-methylpropanamide
CID 60967721
N-(4-cyanophenyl)-2-(N-ethyl-3,4-difluoroanilino)acetamide
CID 112843076
3-(4-cyanoanilino)-N,N-diethylpropanamide
CID 54936059
3-(4-cyanoanilino)-N-(3-methylphenyl)propanamide
CID 109034224
N-[4-(diethylamino)phenyl]-3-(2-fluoroanilino)propanamide
CID 109037588
N-tert-butyl-3-(4-cyanoanilino)propanamide
CID 109031416
3-(4-bromo-3-methylanilino)-N-(4-cyanophenyl)propanamide
CID 109042257
3-(4-cyanoanilino)-N-(3,4-dimethoxyphenyl)propanamide
CID 109040577
N-(4-cyanophenyl)pentanamide
CID 2162994

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyanoanilino)-N-[4-(diethylamino)phenyl]propanamide?
The IUPAC name of 3-(4-cyanoanilino)-N-[4-(diethylamino)phenyl]propanamide (CID 109041719) is 3-(4-cyanoanilino)-N-[4-(diethylamino)phenyl]propanamide.
What is the SMILES notation for 3-(4-cyanoanilino)-N-[4-(diethylamino)phenyl]propanamide?
The canonical SMILES for 3-(4-cyanoanilino)-N-[4-(diethylamino)phenyl]propanamide is CCN(CC)c1ccc(NC(=O)CCNc2ccc(C#N)cc2)cc1.
What is the InChIKey of 3-(4-cyanoanilino)-N-[4-(diethylamino)phenyl]propanamide?
The InChIKey is QXMINXVCIFODGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-3-24(4-2)19-11-9-18(10-12-19)23-20(25)13-14-22-17-7-5-16(15-21)6-8-17/h5-12,22H,3-4,13-14H2,1-2H3,(H,23,25).
What are the key properties of 3-(4-cyanoanilino)-N-[4-(diethylamino)phenyl]propanamide?
3-(4-cyanoanilino)-N-[4-(diethylamino)phenyl]propanamide has a molecular weight of 336.44 g/mol, XLogP of 3.85, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyanoanilino)-N-[4-(diethylamino)phenyl]propanamide is sourced from PubChem (CID 109041719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).