(E)-3-(4-aminophenyl)-N-cyclobutyl-N-(3-hydroxypropyl)prop-2-enamide

C16H22N2O2 — CID 102861644

IUPAC(E)-3-(4-aminophenyl)-N-cyclobutyl-N-(3-hydroxypropyl)prop-2-enamide
SMILESNc1ccc(/C=C/C(=O)N(CCCO)C2CCC2)cc1
InChIInChI=1S/C16H22N2O2/c17-14-8-5-13(6-9-14)7-10-16(20)18(11-2-12-19)15-3-1-4-15/h5-10,15,19H,1-4,11-12,17H2/b10-7+
InChIKeyHYHYCIQWPQLOMP-JXMROGBWSA-N
MW274.36 g/mol
LogP2.05
Rot. Bonds6

About (E)-3-(4-aminophenyl)-N-cyclobutyl-N-(3-hydroxypropyl)prop-2-enamide

(E)-3-(4-aminophenyl)-N-cyclobutyl-N-(3-hydroxypropyl)prop-2-enamide (PubChem CID 102861644) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (E)-3-(4-aminophenyl)-N-cyclobutyl-N-(3-hydroxypropyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-aminophenyl)-N-cyclobutyl-N-(3-hydroxypropyl)prop-2-enamide
PubChem CID102861644
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(E)-3-(4-aminophenyl)-N-cyclobutyl-N-(3-hydroxypropyl)prop-2-enamide
SMILESNc1ccc(/C=C/C(=O)N(CCCO)C2CCC2)cc1
InChIInChI=1S/C16H22N2O2/c17-14-8-5-13(6-9-14)7-10-16(20)18(11-2-12-19)15-3-1-4-15/h5-10,15,19H,1-4,11-12,17H2/b10-7+
InChIKeyHYHYCIQWPQLOMP-JXMROGBWSA-N
XLogP2.05
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-cyclopentyl-N-prop-2-enylprop-2-enamide
CID 115343333
(E)-N-cyclobutyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide
CID 102684272
(E)-N-cyclohexyl-N-ethyl-3-(4-methylphenyl)prop-2-enamide
CID 55377955
(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)-3-(3-cyanophenyl)-N-cyclobutyl-N-(2-hydroxyethyl)prop-2-enamide
CID 102684445
(E)-3-(4-aminophenyl)-N-(cyclopropylmethyl)-N-propan-2-ylprop-2-enamide
CID 115343797
N,N-bis(3-hydroxypropyl)-3-phenylprop-2-enamide
CID 176654258
4-amino-N-cyclobutyl-N-(3-hydroxypropyl)-2-methoxybenzamide
CID 102858749
(E)-3-(3-chlorophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)prop-2-enamide
CID 43577307
N-(4-aminocyclohexyl)-3-phenyl-N-propylprop-2-enamide
CID 79116877
(E)-N-cyclopropyl-3-(3-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide
CID 43577305

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-aminophenyl)-N-cyclobutyl-N-(3-hydroxypropyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-aminophenyl)-N-cyclobutyl-N-(3-hydroxypropyl)prop-2-enamide (CID 102861644) is (E)-3-(4-aminophenyl)-N-cyclobutyl-N-(3-hydroxypropyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-aminophenyl)-N-cyclobutyl-N-(3-hydroxypropyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-aminophenyl)-N-cyclobutyl-N-(3-hydroxypropyl)prop-2-enamide is Nc1ccc(/C=C/C(=O)N(CCCO)C2CCC2)cc1.
What is the InChIKey of (E)-3-(4-aminophenyl)-N-cyclobutyl-N-(3-hydroxypropyl)prop-2-enamide?
The InChIKey is HYHYCIQWPQLOMP-JXMROGBWSA-N. The full InChI is InChI=1S/C16H22N2O2/c17-14-8-5-13(6-9-14)7-10-16(20)18(11-2-12-19)15-3-1-4-15/h5-10,15,19H,1-4,11-12,17H2/b10-7+.
What are the key properties of (E)-3-(4-aminophenyl)-N-cyclobutyl-N-(3-hydroxypropyl)prop-2-enamide?
(E)-3-(4-aminophenyl)-N-cyclobutyl-N-(3-hydroxypropyl)prop-2-enamide has a molecular weight of 274.36 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-aminophenyl)-N-cyclobutyl-N-(3-hydroxypropyl)prop-2-enamide is sourced from PubChem (CID 102861644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).