(E)-N-(3-cyclohexyloxypropyl)-3-(2,4,5-trimethoxyphenyl)prop-2-enamide

C21H31NO5 — CID 31720256

IUPAC(E)-N-(3-cyclohexyloxypropyl)-3-(2,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(OC)c(OC)cc1/C=C/C(=O)NCCCOC1CCCCC1
InChIInChI=1S/C21H31NO5/c1-24-18-15-20(26-3)19(25-2)14-16(18)10-11-21(23)22-12-7-13-27-17-8-5-4-6-9-17/h10-11,14-15,17H,4-9,12-13H2,1-3H3,(H,22,23)/b11-10+
InChIKeyMFQALOLUWJYATD-ZHACJKMWSA-N
MW377.48 g/mol
LogP3.58
Rot. Bonds10

About (E)-N-(3-cyclohexyloxypropyl)-3-(2,4,5-trimethoxyphenyl)prop-2-enamide

(E)-N-(3-cyclohexyloxypropyl)-3-(2,4,5-trimethoxyphenyl)prop-2-enamide (PubChem CID 31720256) has the molecular formula C21H31NO5 and a molecular weight of 377.48 g/mol. Its IUPAC name is (E)-N-(3-cyclohexyloxypropyl)-3-(2,4,5-trimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-cyclohexyloxypropyl)-3-(2,4,5-trimethoxyphenyl)prop-2-enamide
PubChem CID31720256
Molecular FormulaC21H31NO5
Molecular Weight377.48 g/mol
Exact Mass377.22
IUPAC Name(E)-N-(3-cyclohexyloxypropyl)-3-(2,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(OC)c(OC)cc1/C=C/C(=O)NCCCOC1CCCCC1
InChIInChI=1S/C21H31NO5/c1-24-18-15-20(26-3)19(25-2)14-16(18)10-11-21(23)22-12-7-13-27-17-8-5-4-6-9-17/h10-11,14-15,17H,4-9,12-13H2,1-3H3,(H,22,23)/b11-10+
InChIKeyMFQALOLUWJYATD-ZHACJKMWSA-N
XLogP3.58
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.48
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-cyclohexyloxypropyl)-3-(2,4,5-trimethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(3-cyclohexyloxypropyl)-3-(2,4,5-trimethoxyphenyl)prop-2-enamide (CID 31720256) is (E)-N-(3-cyclohexyloxypropyl)-3-(2,4,5-trimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3-cyclohexyloxypropyl)-3-(2,4,5-trimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(3-cyclohexyloxypropyl)-3-(2,4,5-trimethoxyphenyl)prop-2-enamide is COc1cc(OC)c(OC)cc1/C=C/C(=O)NCCCOC1CCCCC1.
What is the InChIKey of (E)-N-(3-cyclohexyloxypropyl)-3-(2,4,5-trimethoxyphenyl)prop-2-enamide?
The InChIKey is MFQALOLUWJYATD-ZHACJKMWSA-N. The full InChI is InChI=1S/C21H31NO5/c1-24-18-15-20(26-3)19(25-2)14-16(18)10-11-21(23)22-12-7-13-27-17-8-5-4-6-9-17/h10-11,14-15,17H,4-9,12-13H2,1-3H3,(H,22,23)/b11-10+.
What are the key properties of (E)-N-(3-cyclohexyloxypropyl)-3-(2,4,5-trimethoxyphenyl)prop-2-enamide?
(E)-N-(3-cyclohexyloxypropyl)-3-(2,4,5-trimethoxyphenyl)prop-2-enamide has a molecular weight of 377.48 g/mol, XLogP of 3.58, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-cyclohexyloxypropyl)-3-(2,4,5-trimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 31720256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).