N-[4-(2-cyanopropan-2-yl)phenyl]-2-(prop-2-enylamino)acetamide

C15H19N3O — CID 79285468

IUPACN-[4-(2-cyanopropan-2-yl)phenyl]-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)Nc1ccc(C(C)(C)C#N)cc1
InChIInChI=1S/C15H19N3O/c1-4-9-17-10-14(19)18-13-7-5-12(6-8-13)15(2,3)11-16/h4-8,17H,1,9-10H2,2-3H3,(H,18,19)
InChIKeyMHMOGSVGRJDXTQ-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.20
Rot. Bonds6

About N-[4-(2-cyanopropan-2-yl)phenyl]-2-(prop-2-enylamino)acetamide

N-[4-(2-cyanopropan-2-yl)phenyl]-2-(prop-2-enylamino)acetamide (PubChem CID 79285468) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-[4-(2-cyanopropan-2-yl)phenyl]-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-[4-(2-cyanopropan-2-yl)phenyl]-2-(prop-2-enylamino)acetamide
PubChem CID79285468
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-[4-(2-cyanopropan-2-yl)phenyl]-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)Nc1ccc(C(C)(C)C#N)cc1
InChIInChI=1S/C15H19N3O/c1-4-9-17-10-14(19)18-13-7-5-12(6-8-13)15(2,3)11-16/h4-8,17H,1,9-10H2,2-3H3,(H,18,19)
InChIKeyMHMOGSVGRJDXTQ-UHFFFAOYSA-N
XLogP2.20
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-(2-cyanopropan-2-yl)phenyl]-2-(prop-2-enylamino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(cyanomethyl)phenyl]-2-(prop-2-enylamino)acetamide
CID 78911112
6-amino-N-[4-(2-cyanopropan-2-yl)phenyl]hexanamide
CID 43699716
N-(4-ethylsulfonylphenyl)-2-(prop-2-enylamino)acetamide
CID 79285005
N-(4-methyl-3-sulfamoylphenyl)-2-(prop-2-enylamino)acetamide
CID 78912240
N-(4-acetamido-3-methylphenyl)-2-(prop-2-enylamino)acetamide
CID 79285856
N-[4-(2-methoxyethoxy)phenyl]-2-(prop-2-enylamino)acetamide
CID 54818436
N-(4-heptoxyphenyl)-2-(prop-2-enylamino)acetamide
CID 54818376
N'-(4-tert-butylphenyl)-N-prop-2-enylpropanediamide
CID 108941269
(E)-3-[4-[[2-(prop-2-enylamino)acetyl]amino]phenyl]prop-2-enoic acid
CID 115342388
N-[4-(2-cyanopropan-2-yl)phenyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 33117678
N-(4-methoxy-3-methylphenyl)-2-(prop-2-enylamino)acetamide
CID 79280189
2-bromo-N-[4-(2-cyanopropan-2-yl)phenyl]propanamide
CID 107903592

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-cyanopropan-2-yl)phenyl]-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-[4-(2-cyanopropan-2-yl)phenyl]-2-(prop-2-enylamino)acetamide (CID 79285468) is N-[4-(2-cyanopropan-2-yl)phenyl]-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-[4-(2-cyanopropan-2-yl)phenyl]-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-[4-(2-cyanopropan-2-yl)phenyl]-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)Nc1ccc(C(C)(C)C#N)cc1.
What is the InChIKey of N-[4-(2-cyanopropan-2-yl)phenyl]-2-(prop-2-enylamino)acetamide?
The InChIKey is MHMOGSVGRJDXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-4-9-17-10-14(19)18-13-7-5-12(6-8-13)15(2,3)11-16/h4-8,17H,1,9-10H2,2-3H3,(H,18,19).
What are the key properties of N-[4-(2-cyanopropan-2-yl)phenyl]-2-(prop-2-enylamino)acetamide?
N-[4-(2-cyanopropan-2-yl)phenyl]-2-(prop-2-enylamino)acetamide has a molecular weight of 257.34 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-cyanopropan-2-yl)phenyl]-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 79285468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).