(E)-3-(4-butoxy-3-methoxyphenyl)-N-cyclopropyl-N-(pyridin-2-ylmethyl)prop-2-enamide

C23H28N2O3 — CID 55408748

IUPAC(E)-3-(4-butoxy-3-methoxyphenyl)-N-cyclopropyl-N-(pyridin-2-ylmethyl)prop-2-enamide
SMILESCCCCOc1ccc(/C=C/C(=O)N(Cc2ccccn2)C2CC2)cc1OC
InChIInChI=1S/C23H28N2O3/c1-3-4-15-28-21-12-8-18(16-22(21)27-2)9-13-23(26)25(20-10-11-20)17-19-7-5-6-14-24-19/h5-9,12-14,16,20H,3-4,10-11,15,17H2,1-2H3/b13-9+
InChIKeyYAYBRDSFCVNDBS-UKTHLTGXSA-N
MW380.49 g/mol
LogP4.47
Rot. Bonds10

About (E)-3-(4-butoxy-3-methoxyphenyl)-N-cyclopropyl-N-(pyridin-2-ylmethyl)prop-2-enamide

(E)-3-(4-butoxy-3-methoxyphenyl)-N-cyclopropyl-N-(pyridin-2-ylmethyl)prop-2-enamide (PubChem CID 55408748) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is (E)-3-(4-butoxy-3-methoxyphenyl)-N-cyclopropyl-N-(pyridin-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-butoxy-3-methoxyphenyl)-N-cyclopropyl-N-(pyridin-2-ylmethyl)prop-2-enamide
PubChem CID55408748
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name(E)-3-(4-butoxy-3-methoxyphenyl)-N-cyclopropyl-N-(pyridin-2-ylmethyl)prop-2-enamide
SMILESCCCCOc1ccc(/C=C/C(=O)N(Cc2ccccn2)C2CC2)cc1OC
InChIInChI=1S/C23H28N2O3/c1-3-4-15-28-21-12-8-18(16-22(21)27-2)9-13-23(26)25(20-10-11-20)17-19-7-5-6-14-24-19/h5-9,12-14,16,20H,3-4,10-11,15,17H2,1-2H3/b13-9+
InChIKeyYAYBRDSFCVNDBS-UKTHLTGXSA-N
XLogP4.47
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl chloride
CID 21322652
N'-[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]pyridine-2-carbohydrazide
CID 9331127
(E)-N-(2-methoxyethyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 55979626
(E)-N-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide
CID 31748213
3-(4-butoxy-3-methoxyphenyl)-N-(4-hydroxycyclohexyl)prop-2-enamide
CID 78767416
3-(4-butoxy-3-methoxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide
CID 75981223
(E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 60535776
(E)-3-(4-hexoxy-3-methoxyphenyl)-1-phenylprop-2-en-1-one
CID 134814022
(E)-3-(3,4-dimethoxyphenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 43986614
N-[1-[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]piperidin-4-yl]benzamide
CID 34424345
(E)-3-(4-hexoxy-3-methoxyphenyl)-N,N-bis(2-methylpropyl)prop-2-enamide
CID 19166248
(E)-3-(4-butoxy-3-methoxyphenyl)-N-propylprop-2-enamide
CID 52892563

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-butoxy-3-methoxyphenyl)-N-cyclopropyl-N-(pyridin-2-ylmethyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-butoxy-3-methoxyphenyl)-N-cyclopropyl-N-(pyridin-2-ylmethyl)prop-2-enamide (CID 55408748) is (E)-3-(4-butoxy-3-methoxyphenyl)-N-cyclopropyl-N-(pyridin-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-butoxy-3-methoxyphenyl)-N-cyclopropyl-N-(pyridin-2-ylmethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-butoxy-3-methoxyphenyl)-N-cyclopropyl-N-(pyridin-2-ylmethyl)prop-2-enamide is CCCCOc1ccc(/C=C/C(=O)N(Cc2ccccn2)C2CC2)cc1OC.
What is the InChIKey of (E)-3-(4-butoxy-3-methoxyphenyl)-N-cyclopropyl-N-(pyridin-2-ylmethyl)prop-2-enamide?
The InChIKey is YAYBRDSFCVNDBS-UKTHLTGXSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-3-4-15-28-21-12-8-18(16-22(21)27-2)9-13-23(26)25(20-10-11-20)17-19-7-5-6-14-24-19/h5-9,12-14,16,20H,3-4,10-11,15,17H2,1-2H3/b13-9+.
What are the key properties of (E)-3-(4-butoxy-3-methoxyphenyl)-N-cyclopropyl-N-(pyridin-2-ylmethyl)prop-2-enamide?
(E)-3-(4-butoxy-3-methoxyphenyl)-N-cyclopropyl-N-(pyridin-2-ylmethyl)prop-2-enamide has a molecular weight of 380.49 g/mol, XLogP of 4.47, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-butoxy-3-methoxyphenyl)-N-cyclopropyl-N-(pyridin-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 55408748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).