(E)-3-(4-aminophenyl)-N-cyclopentyl-N-prop-2-enylprop-2-enamide

C17H22N2O — CID 115343333

IUPAC(E)-3-(4-aminophenyl)-N-cyclopentyl-N-prop-2-enylprop-2-enamide
SMILESC=CCN(C(=O)/C=C/c1ccc(N)cc1)C1CCCC1
InChIInChI=1S/C17H22N2O/c1-2-13-19(16-5-3-4-6-16)17(20)12-9-14-7-10-15(18)11-8-14/h2,7-12,16H,1,3-6,13,18H2/b12-9+
InChIKeyOIGGWOTZEZXGTF-FMIVXFBMSA-N
MW270.38 g/mol
LogP3.24
Rot. Bonds5

About (E)-3-(4-aminophenyl)-N-cyclopentyl-N-prop-2-enylprop-2-enamide

(E)-3-(4-aminophenyl)-N-cyclopentyl-N-prop-2-enylprop-2-enamide (PubChem CID 115343333) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is (E)-3-(4-aminophenyl)-N-cyclopentyl-N-prop-2-enylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-aminophenyl)-N-cyclopentyl-N-prop-2-enylprop-2-enamide
PubChem CID115343333
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name(E)-3-(4-aminophenyl)-N-cyclopentyl-N-prop-2-enylprop-2-enamide
SMILESC=CCN(C(=O)/C=C/c1ccc(N)cc1)C1CCCC1
InChIInChI=1S/C17H22N2O/c1-2-13-19(16-5-3-4-6-16)17(20)12-9-14-7-10-15(18)11-8-14/h2,7-12,16H,1,3-6,13,18H2/b12-9+
InChIKeyOIGGWOTZEZXGTF-FMIVXFBMSA-N
XLogP3.24
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-aminophenyl)-N-cyclobutyl-N-(3-hydroxypropyl)prop-2-enamide
CID 102861644
(E)-N-cyclohexyl-N-ethyl-3-(4-methylphenyl)prop-2-enamide
CID 55377955
(E)-3-(4-aminophenyl)-N-(cyclopropylmethyl)-N-propan-2-ylprop-2-enamide
CID 115343797
(E)-N-(1,1-dioxothiolan-3-yl)-N-prop-2-enyl-3-[4-(trifluoromethylsulfanyl)phenyl]prop-2-enamide
CID 60560788
(E)-N-cyclobutyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide
CID 102684272
(E)-3-(4-aminophenyl)-N-(4,4-dimethylcyclohexyl)-N-methylprop-2-enamide
CID 115344642
(E)-3-(4-aminophenyl)-N-(4-ethylcyclohexyl)-N-methylprop-2-enamide
CID 115343447
(E)-N-cyclohexyl-N-ethyl-3-(4-methoxyphenyl)prop-2-enamide
CID 890681
(E)-N-cyclopropyl-3-phenyl-N-(piperidin-2-ylmethyl)prop-2-enamide
CID 106626913
cyclohexylmethyl (E)-3-(4-aminophenyl)prop-2-enoate
CID 115342526
2-amino-N-cyclopentyl-3-methyl-N-prop-2-enylbenzamide
CID 61108767
2-amino-4-bromo-N-cyclopentyl-N-prop-2-enylbenzamide
CID 79719350

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-aminophenyl)-N-cyclopentyl-N-prop-2-enylprop-2-enamide?
The IUPAC name of (E)-3-(4-aminophenyl)-N-cyclopentyl-N-prop-2-enylprop-2-enamide (CID 115343333) is (E)-3-(4-aminophenyl)-N-cyclopentyl-N-prop-2-enylprop-2-enamide.
What is the SMILES notation for (E)-3-(4-aminophenyl)-N-cyclopentyl-N-prop-2-enylprop-2-enamide?
The canonical SMILES for (E)-3-(4-aminophenyl)-N-cyclopentyl-N-prop-2-enylprop-2-enamide is C=CCN(C(=O)/C=C/c1ccc(N)cc1)C1CCCC1.
What is the InChIKey of (E)-3-(4-aminophenyl)-N-cyclopentyl-N-prop-2-enylprop-2-enamide?
The InChIKey is OIGGWOTZEZXGTF-FMIVXFBMSA-N. The full InChI is InChI=1S/C17H22N2O/c1-2-13-19(16-5-3-4-6-16)17(20)12-9-14-7-10-15(18)11-8-14/h2,7-12,16H,1,3-6,13,18H2/b12-9+.
What are the key properties of (E)-3-(4-aminophenyl)-N-cyclopentyl-N-prop-2-enylprop-2-enamide?
(E)-3-(4-aminophenyl)-N-cyclopentyl-N-prop-2-enylprop-2-enamide has a molecular weight of 270.38 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-aminophenyl)-N-cyclopentyl-N-prop-2-enylprop-2-enamide is sourced from PubChem (CID 115343333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).