(E)-3-(4-aminophenyl)-N-[(1-methylcyclobutyl)methyl]prop-2-enamide

C15H20N2O — CID 114107791

IUPAC(E)-3-(4-aminophenyl)-N-[(1-methylcyclobutyl)methyl]prop-2-enamide
SMILESCC1(CNC(=O)/C=C/c2ccc(N)cc2)CCC1
InChIInChI=1S/C15H20N2O/c1-15(9-2-10-15)11-17-14(18)8-5-12-3-6-13(16)7-4-12/h3-8H,2,9-11,16H2,1H3,(H,17,18)/b8-5+
InChIKeyFXROXQMMJMROGN-VMPITWQZSA-N
MW244.34 g/mol
LogP2.59
Rot. Bonds4

About (E)-3-(4-aminophenyl)-N-[(1-methylcyclobutyl)methyl]prop-2-enamide

(E)-3-(4-aminophenyl)-N-[(1-methylcyclobutyl)methyl]prop-2-enamide (PubChem CID 114107791) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is (E)-3-(4-aminophenyl)-N-[(1-methylcyclobutyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-aminophenyl)-N-[(1-methylcyclobutyl)methyl]prop-2-enamide
PubChem CID114107791
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name(E)-3-(4-aminophenyl)-N-[(1-methylcyclobutyl)methyl]prop-2-enamide
SMILESCC1(CNC(=O)/C=C/c2ccc(N)cc2)CCC1
InChIInChI=1S/C15H20N2O/c1-15(9-2-10-15)11-17-14(18)8-5-12-3-6-13(16)7-4-12/h3-8H,2,9-11,16H2,1H3,(H,17,18)/b8-5+
InChIKeyFXROXQMMJMROGN-VMPITWQZSA-N
XLogP2.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4-aminophenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]prop-2-enamide
CID 106101730
3-(4-aminophenyl)-N-[(1-methylcyclobutyl)methyl]propanamide
CID 114107058
3-(4-ethylphenyl)-N-[(3-methyloxetan-3-yl)methyl]prop-2-enamide
CID 78956577
2-(4-aminophenyl)-N-[(1-methylcyclopentyl)methyl]acetamide;hydrochloride
CID 119780541
(E)-3-(4-aminophenyl)-N-(2,2-dimethylbutyl)prop-2-enamide
CID 103461593
(E)-3-(4-aminophenyl)-N-(3-methyl-2-oxobutyl)prop-2-enamide
CID 59531443
(E)-3-(4-aminophenyl)-N-(2-ethyl-2-hydroxybutyl)prop-2-enamide
CID 115344367
ethyl 2-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]acetate
CID 113290856
(E)-3-(4-aminophenyl)-N-[2-(methylsulfamoyl)ethyl]prop-2-enamide
CID 106336595
(E)-3-(4-aminophenyl)-N-[(4-methylphenyl)methyl]prop-2-enamide
CID 84557574
(E)-3-(4-aminophenyl)-N-(3-hydroxybutyl)prop-2-enamide
CID 115344348
1-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]cyclopentane-1-carboxylic acid
CID 115343519

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-aminophenyl)-N-[(1-methylcyclobutyl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-aminophenyl)-N-[(1-methylcyclobutyl)methyl]prop-2-enamide (CID 114107791) is (E)-3-(4-aminophenyl)-N-[(1-methylcyclobutyl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-aminophenyl)-N-[(1-methylcyclobutyl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-aminophenyl)-N-[(1-methylcyclobutyl)methyl]prop-2-enamide is CC1(CNC(=O)/C=C/c2ccc(N)cc2)CCC1.
What is the InChIKey of (E)-3-(4-aminophenyl)-N-[(1-methylcyclobutyl)methyl]prop-2-enamide?
The InChIKey is FXROXQMMJMROGN-VMPITWQZSA-N. The full InChI is InChI=1S/C15H20N2O/c1-15(9-2-10-15)11-17-14(18)8-5-12-3-6-13(16)7-4-12/h3-8H,2,9-11,16H2,1H3,(H,17,18)/b8-5+.
What are the key properties of (E)-3-(4-aminophenyl)-N-[(1-methylcyclobutyl)methyl]prop-2-enamide?
(E)-3-(4-aminophenyl)-N-[(1-methylcyclobutyl)methyl]prop-2-enamide has a molecular weight of 244.34 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-aminophenyl)-N-[(1-methylcyclobutyl)methyl]prop-2-enamide is sourced from PubChem (CID 114107791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).