N-(4-aminophenyl)-2-[2-cyanopropyl(methyl)amino]propanamide

C14H20N4O — CID 54992578

IUPACN-(4-aminophenyl)-2-[2-cyanopropyl(methyl)amino]propanamide
SMILESCC(C#N)CN(C)C(C)C(=O)Nc1ccc(N)cc1
InChIInChI=1S/C14H20N4O/c1-10(8-15)9-18(3)11(2)14(19)17-13-6-4-12(16)5-7-13/h4-7,10-11H,9,16H2,1-3H3,(H,17,19)
InChIKeyUZVXDRPFMYCHLD-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.69
Rot. Bonds5

About N-(4-aminophenyl)-2-[2-cyanopropyl(methyl)amino]propanamide

N-(4-aminophenyl)-2-[2-cyanopropyl(methyl)amino]propanamide (PubChem CID 54992578) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-[2-cyanopropyl(methyl)amino]propanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-[2-cyanopropyl(methyl)amino]propanamide
PubChem CID54992578
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-(4-aminophenyl)-2-[2-cyanopropyl(methyl)amino]propanamide
SMILESCC(C#N)CN(C)C(C)C(=O)Nc1ccc(N)cc1
InChIInChI=1S/C14H20N4O/c1-10(8-15)9-18(3)11(2)14(19)17-13-6-4-12(16)5-7-13/h4-7,10-11H,9,16H2,1-3H3,(H,17,19)
InChIKeyUZVXDRPFMYCHLD-UHFFFAOYSA-N
XLogP1.69
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyanophenyl)-2-[2-cyanopropyl(methyl)amino]propanamide
CID 47395538
N-carbamoyl-2-[2-cyanopropyl(methyl)amino]propanamide
CID 47395534
N-(4-cyanophenyl)-2-[ethyl(methyl)amino]propanamide
CID 43263401
2-[2-cyanopropyl(ethyl)amino]-N-phenylpropanamide
CID 54988244
N-(4-aminophenyl)-2-[bis(2-hydroxyethyl)amino]propanamide
CID 61242810
N-(4-aminophenyl)-2-[bis(2-amino-2-oxoethyl)amino]propanamide
CID 62921681
(2R)-N-(4-chlorophenyl)-2-[[(2R)-2-hydroxypropyl]-methylamino]propanamide
CID 124732754
N-(4-cyanophenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanamide
CID 43215756
2-(4-aminophenyl)-N-(2-cyanopropyl)-N,2-dimethylpropanamide
CID 80556874
2-methyl-3-[methyl-[1-(4-methylanilino)-1-oxopropan-2-yl]amino]propanoic acid
CID 82326707
N-(4-aminophenyl)-2-[bis(prop-2-enyl)amino]propanamide
CID 82224550
N-(4-aminophenyl)-2-[1-cyanopropan-2-yl(methyl)amino]acetamide
CID 63222153

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-[2-cyanopropyl(methyl)amino]propanamide?
The IUPAC name of N-(4-aminophenyl)-2-[2-cyanopropyl(methyl)amino]propanamide (CID 54992578) is N-(4-aminophenyl)-2-[2-cyanopropyl(methyl)amino]propanamide.
What is the SMILES notation for N-(4-aminophenyl)-2-[2-cyanopropyl(methyl)amino]propanamide?
The canonical SMILES for N-(4-aminophenyl)-2-[2-cyanopropyl(methyl)amino]propanamide is CC(C#N)CN(C)C(C)C(=O)Nc1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-2-[2-cyanopropyl(methyl)amino]propanamide?
The InChIKey is UZVXDRPFMYCHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-10(8-15)9-18(3)11(2)14(19)17-13-6-4-12(16)5-7-13/h4-7,10-11H,9,16H2,1-3H3,(H,17,19).
What are the key properties of N-(4-aminophenyl)-2-[2-cyanopropyl(methyl)amino]propanamide?
N-(4-aminophenyl)-2-[2-cyanopropyl(methyl)amino]propanamide has a molecular weight of 260.34 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-[2-cyanopropyl(methyl)amino]propanamide is sourced from PubChem (CID 54992578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).