3-(3-cyanoanilino)-N-[3-(dimethylamino)propyl]propanamide

C15H22N4O — CID 109017019

IUPAC3-(3-cyanoanilino)-N-[3-(dimethylamino)propyl]propanamide
SMILESCN(C)CCCNC(=O)CCNc1cccc(C#N)c1
InChIInChI=1S/C15H22N4O/c1-19(2)10-4-8-18-15(20)7-9-17-14-6-3-5-13(11-14)12-16/h3,5-6,11,17H,4,7-10H2,1-2H3,(H,18,20)
InChIKeyWTEVQSSTECQUIO-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.43
Rot. Bonds8

About 3-(3-cyanoanilino)-N-[3-(dimethylamino)propyl]propanamide

3-(3-cyanoanilino)-N-[3-(dimethylamino)propyl]propanamide (PubChem CID 109017019) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 3-(3-cyanoanilino)-N-[3-(dimethylamino)propyl]propanamide.

Molecular Properties

Compound Name3-(3-cyanoanilino)-N-[3-(dimethylamino)propyl]propanamide
PubChem CID109017019
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name3-(3-cyanoanilino)-N-[3-(dimethylamino)propyl]propanamide
SMILESCN(C)CCCNC(=O)CCNc1cccc(C#N)c1
InChIInChI=1S/C15H22N4O/c1-19(2)10-4-8-18-15(20)7-9-17-14-6-3-5-13(11-14)12-16/h3,5-6,11,17H,4,7-10H2,1-2H3,(H,18,20)
InChIKeyWTEVQSSTECQUIO-UHFFFAOYSA-N
XLogP1.43
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3-acetamidoanilino)-N-[3-(dimethylamino)propyl]propanamide
CID 109016980
3-(3-cyanoanilino)-N-methylpropanamide
CID 62324196
3-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 109016336
3-(3-cyanoanilino)-N-[(2-methoxyphenyl)methyl]propanamide
CID 109022093
4-N-(3-cyanophenyl)-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide
CID 109147349
3-(2,6-difluoroanilino)-N-[3-(dimethylamino)propyl]propanamide
CID 109017023
N-butan-2-yl-3-(3-cyanoanilino)propanamide
CID 109013061
methyl 3-(3-cyanoanilino)propanoate;hydrochloride
CID 69208623
3-(3-cyanoanilino)-N-(2,6-difluorophenyl)propanamide
CID 109042830
3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[3-(dimethylamino)propyl]propanamide
CID 109017002
3-(3-cyanoanilino)-N-(3,4-dimethoxyphenyl)propanamide
CID 109040576
3-(3-cyanoanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 109023612

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyanoanilino)-N-[3-(dimethylamino)propyl]propanamide?
The IUPAC name of 3-(3-cyanoanilino)-N-[3-(dimethylamino)propyl]propanamide (CID 109017019) is 3-(3-cyanoanilino)-N-[3-(dimethylamino)propyl]propanamide.
What is the SMILES notation for 3-(3-cyanoanilino)-N-[3-(dimethylamino)propyl]propanamide?
The canonical SMILES for 3-(3-cyanoanilino)-N-[3-(dimethylamino)propyl]propanamide is CN(C)CCCNC(=O)CCNc1cccc(C#N)c1.
What is the InChIKey of 3-(3-cyanoanilino)-N-[3-(dimethylamino)propyl]propanamide?
The InChIKey is WTEVQSSTECQUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-19(2)10-4-8-18-15(20)7-9-17-14-6-3-5-13(11-14)12-16/h3,5-6,11,17H,4,7-10H2,1-2H3,(H,18,20).
What are the key properties of 3-(3-cyanoanilino)-N-[3-(dimethylamino)propyl]propanamide?
3-(3-cyanoanilino)-N-[3-(dimethylamino)propyl]propanamide has a molecular weight of 274.37 g/mol, XLogP of 1.43, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyanoanilino)-N-[3-(dimethylamino)propyl]propanamide is sourced from PubChem (CID 109017019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).