3-methoxy-N-[2-(4-propan-2-yloxyphenyl)ethyl]-4-prop-2-enoxybenzamide

C22H27NO4 — CID 33159433

IUPAC3-methoxy-N-[2-(4-propan-2-yloxyphenyl)ethyl]-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)NCCc2ccc(OC(C)C)cc2)cc1OC
InChIInChI=1S/C22H27NO4/c1-5-14-26-20-11-8-18(15-21(20)25-4)22(24)23-13-12-17-6-9-19(10-7-17)27-16(2)3/h5-11,15-16H,1,12-14H2,2-4H3,(H,23,24)
InChIKeyJVFWRCPCRXCCCL-UHFFFAOYSA-N
MW369.46 g/mol
LogP4.02
Rot. Bonds10

About 3-methoxy-N-[2-(4-propan-2-yloxyphenyl)ethyl]-4-prop-2-enoxybenzamide

3-methoxy-N-[2-(4-propan-2-yloxyphenyl)ethyl]-4-prop-2-enoxybenzamide (PubChem CID 33159433) has the molecular formula C22H27NO4 and a molecular weight of 369.46 g/mol. Its IUPAC name is 3-methoxy-N-[2-(4-propan-2-yloxyphenyl)ethyl]-4-prop-2-enoxybenzamide.

Molecular Properties

Compound Name3-methoxy-N-[2-(4-propan-2-yloxyphenyl)ethyl]-4-prop-2-enoxybenzamide
PubChem CID33159433
Molecular FormulaC22H27NO4
Molecular Weight369.46 g/mol
Exact Mass369.19
IUPAC Name3-methoxy-N-[2-(4-propan-2-yloxyphenyl)ethyl]-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)NCCc2ccc(OC(C)C)cc2)cc1OC
InChIInChI=1S/C22H27NO4/c1-5-14-26-20-11-8-18(15-21(20)25-4)22(24)23-13-12-17-6-9-19(10-7-17)27-16(2)3/h5-11,15-16H,1,12-14H2,2-4H3,(H,23,24)
InChIKeyJVFWRCPCRXCCCL-UHFFFAOYSA-N
XLogP4.02
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-[2-(methylamino)ethyl]-4-prop-2-enoxybenzamide;hydrochloride
CID 119503473
3-methoxy-N-(3-phenylpropyl)-4-prop-2-enoxybenzamide
CID 27647355
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-methoxy-4-prop-2-enoxybenzoate
CID 27284886
N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-methoxy-4-prop-2-enoxybenzamide
CID 24551293
N-[3-(3,4-dimethoxyphenyl)propyl]-4-prop-2-enoxybenzamide
CID 48586947
4-(hydroxymethyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide
CID 126821115
3-(3,4-dimethoxyphenyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide
CID 33155420
3-methoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-prop-2-enoxybenzamide
CID 55575895
N-(3-amino-2-methylpropyl)-3-methoxy-4-prop-2-enoxybenzamide
CID 119998178
N-(3-amino-2-methylpropyl)-3-methoxy-4-prop-2-enoxybenzamide;hydrochloride
CID 119998177
(E)-3-(3,4-dimethoxyphenyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]prop-2-enamide
CID 33162225
N-[2-(4-fluorophenyl)ethyl]-3-methoxy-4-(3-methylbutoxy)benzamide
CID 112790971

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-(4-propan-2-yloxyphenyl)ethyl]-4-prop-2-enoxybenzamide?
The IUPAC name of 3-methoxy-N-[2-(4-propan-2-yloxyphenyl)ethyl]-4-prop-2-enoxybenzamide (CID 33159433) is 3-methoxy-N-[2-(4-propan-2-yloxyphenyl)ethyl]-4-prop-2-enoxybenzamide.
What is the SMILES notation for 3-methoxy-N-[2-(4-propan-2-yloxyphenyl)ethyl]-4-prop-2-enoxybenzamide?
The canonical SMILES for 3-methoxy-N-[2-(4-propan-2-yloxyphenyl)ethyl]-4-prop-2-enoxybenzamide is C=CCOc1ccc(C(=O)NCCc2ccc(OC(C)C)cc2)cc1OC.
What is the InChIKey of 3-methoxy-N-[2-(4-propan-2-yloxyphenyl)ethyl]-4-prop-2-enoxybenzamide?
The InChIKey is JVFWRCPCRXCCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO4/c1-5-14-26-20-11-8-18(15-21(20)25-4)22(24)23-13-12-17-6-9-19(10-7-17)27-16(2)3/h5-11,15-16H,1,12-14H2,2-4H3,(H,23,24).
What are the key properties of 3-methoxy-N-[2-(4-propan-2-yloxyphenyl)ethyl]-4-prop-2-enoxybenzamide?
3-methoxy-N-[2-(4-propan-2-yloxyphenyl)ethyl]-4-prop-2-enoxybenzamide has a molecular weight of 369.46 g/mol, XLogP of 4.02, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-(4-propan-2-yloxyphenyl)ethyl]-4-prop-2-enoxybenzamide is sourced from PubChem (CID 33159433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).