(E)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-3-(3-methoxyphenyl)prop-2-enamide

C23H27NO5 — CID 55708207

IUPAC(E)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-3-(3-methoxyphenyl)prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)NCc2ccc(OCC3CCCO3)c(OC)c2)c1
InChIInChI=1S/C23H27NO5/c1-26-19-6-3-5-17(13-19)9-11-23(25)24-15-18-8-10-21(22(14-18)27-2)29-16-20-7-4-12-28-20/h3,5-6,8-11,13-14,20H,4,7,12,15-16H2,1-2H3,(H,24,25)/b11-9+
InChIKeyCNZBAAPBSQLFPE-PKNBQFBNSA-N
MW397.47 g/mol
LogP3.59
Rot. Bonds9

About (E)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-3-(3-methoxyphenyl)prop-2-enamide

(E)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-3-(3-methoxyphenyl)prop-2-enamide (PubChem CID 55708207) has the molecular formula C23H27NO5 and a molecular weight of 397.47 g/mol. Its IUPAC name is (E)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-3-(3-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-3-(3-methoxyphenyl)prop-2-enamide
PubChem CID55708207
Molecular FormulaC23H27NO5
Molecular Weight397.47 g/mol
Exact Mass397.19
IUPAC Name(E)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-3-(3-methoxyphenyl)prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)NCc2ccc(OCC3CCCO3)c(OC)c2)c1
InChIInChI=1S/C23H27NO5/c1-26-19-6-3-5-17(13-19)9-11-23(25)24-15-18-8-10-21(22(14-18)27-2)29-16-20-7-4-12-28-20/h3,5-6,8-11,13-14,20H,4,7,12,15-16H2,1-2H3,(H,24,25)/b11-9+
InChIKeyCNZBAAPBSQLFPE-PKNBQFBNSA-N
XLogP3.59
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4-dimethoxyphenyl)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]prop-2-enamide
CID 55708051
(E)-3-(3-methoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]prop-2-enamide
CID 27838770
2-(3,4-dimethoxyphenyl)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide
CID 46466581
N-[[3-methoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-2-(2-methoxyphenyl)acetamide
CID 51726174
3-cyclopentyl-N-[[3-methoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]propanamide
CID 51728001
(E)-3-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide
CID 7772448
N-[[3-methoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]pyrazine-2-carboxamide
CID 94025634
3-(3,4-dimethoxyphenyl)-N-[4-(oxolan-2-ylmethoxy)phenyl]prop-2-enamide
CID 4957942
N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-propylsulfanylacetamide
CID 55839780
2-(4-fluorophenoxy)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]propanamide
CID 46469803
2-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 26724505
4-[[3-(3-methoxyphenyl)prop-2-enoylamino]methyl]benzoic acid
CID 67079345

Frequently Asked Questions

What is the IUPAC name of (E)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-3-(3-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-3-(3-methoxyphenyl)prop-2-enamide (CID 55708207) is (E)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-3-(3-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-3-(3-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-3-(3-methoxyphenyl)prop-2-enamide is COc1cccc(/C=C/C(=O)NCc2ccc(OCC3CCCO3)c(OC)c2)c1.
What is the InChIKey of (E)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-3-(3-methoxyphenyl)prop-2-enamide?
The InChIKey is CNZBAAPBSQLFPE-PKNBQFBNSA-N. The full InChI is InChI=1S/C23H27NO5/c1-26-19-6-3-5-17(13-19)9-11-23(25)24-15-18-8-10-21(22(14-18)27-2)29-16-20-7-4-12-28-20/h3,5-6,8-11,13-14,20H,4,7,12,15-16H2,1-2H3,(H,24,25)/b11-9+.
What are the key properties of (E)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-3-(3-methoxyphenyl)prop-2-enamide?
(E)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-3-(3-methoxyphenyl)prop-2-enamide has a molecular weight of 397.47 g/mol, XLogP of 3.59, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-3-(3-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 55708207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).