N-[[4-methoxy-3-propan-2-yloxy-2-[(E)-prop-1-enyl]phenyl]methyl]-N-prop-2-enylacetamide

C19H27NO3 — CID 23730675

IUPACN-[[4-methoxy-3-propan-2-yloxy-2-[(E)-prop-1-enyl]phenyl]methyl]-N-prop-2-enylacetamide
SMILESC=CCN(Cc1ccc(OC)c(OC(C)C)c1/C=C/C)C(C)=O
InChIInChI=1S/C19H27NO3/c1-7-9-17-16(13-20(12-8-2)15(5)21)10-11-18(22-6)19(17)23-14(3)4/h7-11,14H,2,12-13H2,1,3-6H3/b9-7+
InChIKeyGSOTYZOKQVLSPG-VQHVLOKHSA-N
MW317.43 g/mol
LogP4.05
Rot. Bonds8

About N-[[4-methoxy-3-propan-2-yloxy-2-[(E)-prop-1-enyl]phenyl]methyl]-N-prop-2-enylacetamide

N-[[4-methoxy-3-propan-2-yloxy-2-[(E)-prop-1-enyl]phenyl]methyl]-N-prop-2-enylacetamide (PubChem CID 23730675) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-[[4-methoxy-3-propan-2-yloxy-2-[(E)-prop-1-enyl]phenyl]methyl]-N-prop-2-enylacetamide.

Molecular Properties

Compound NameN-[[4-methoxy-3-propan-2-yloxy-2-[(E)-prop-1-enyl]phenyl]methyl]-N-prop-2-enylacetamide
PubChem CID23730675
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC NameN-[[4-methoxy-3-propan-2-yloxy-2-[(E)-prop-1-enyl]phenyl]methyl]-N-prop-2-enylacetamide
SMILESC=CCN(Cc1ccc(OC)c(OC(C)C)c1/C=C/C)C(C)=O
InChIInChI=1S/C19H27NO3/c1-7-9-17-16(13-20(12-8-2)15(5)21)10-11-18(22-6)19(17)23-14(3)4/h7-11,14H,2,12-13H2,1,3-6H3/b9-7+
InChIKeyGSOTYZOKQVLSPG-VQHVLOKHSA-N
XLogP4.05
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-methoxy-3-propan-2-yloxy-2-[(E)-prop-1-enyl]phenyl]methyl]-1-phenylmethanesulfonamide
CID 139066918
3-methoxy-4-propan-2-yloxy-N,N-bis(prop-2-enyl)benzamide
CID 78784416
N-[(2-fluorophenyl)methyl]-N-prop-2-enylacetamide
CID 84571244
N-[(2-fluorophenyl)methyl]-N-prop-2-enyl-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55921283
1-(6-bromo-3-methoxy-2-propan-2-yloxyphenyl)propan-2-one
CID 117484933
2-[acetyl(prop-2-enyl)amino]-N-(2-methoxyphenyl)acetamide
CID 84571235
N-[(2,4-dimethoxyphenyl)methyl]-N-prop-2-enylbut-3-enamide
CID 24796878
2-[acetyl(prop-2-enyl)amino]-N-(4-propan-2-yloxyphenyl)acetamide
CID 113158570
N-(2,3-dihydroxypropyl)-N-[(4-methoxynaphthalen-1-yl)methyl]acetamide
CID 143922895
2-(3,4-dimethoxyphenyl)-N,N-bis(prop-2-enyl)acetamide
CID 720349
prop-2-enyl 2-(2,3,6-trimethoxyphenyl)acetate
CID 175155335
N-[(2,3-dimethoxyphenyl)methyl]-2-oxo-N-prop-2-enylimidazolidine-1-carboxamide
CID 3762747

Frequently Asked Questions

What is the IUPAC name of N-[[4-methoxy-3-propan-2-yloxy-2-[(E)-prop-1-enyl]phenyl]methyl]-N-prop-2-enylacetamide?
The IUPAC name of N-[[4-methoxy-3-propan-2-yloxy-2-[(E)-prop-1-enyl]phenyl]methyl]-N-prop-2-enylacetamide (CID 23730675) is N-[[4-methoxy-3-propan-2-yloxy-2-[(E)-prop-1-enyl]phenyl]methyl]-N-prop-2-enylacetamide.
What is the SMILES notation for N-[[4-methoxy-3-propan-2-yloxy-2-[(E)-prop-1-enyl]phenyl]methyl]-N-prop-2-enylacetamide?
The canonical SMILES for N-[[4-methoxy-3-propan-2-yloxy-2-[(E)-prop-1-enyl]phenyl]methyl]-N-prop-2-enylacetamide is C=CCN(Cc1ccc(OC)c(OC(C)C)c1/C=C/C)C(C)=O.
What is the InChIKey of N-[[4-methoxy-3-propan-2-yloxy-2-[(E)-prop-1-enyl]phenyl]methyl]-N-prop-2-enylacetamide?
The InChIKey is GSOTYZOKQVLSPG-VQHVLOKHSA-N. The full InChI is InChI=1S/C19H27NO3/c1-7-9-17-16(13-20(12-8-2)15(5)21)10-11-18(22-6)19(17)23-14(3)4/h7-11,14H,2,12-13H2,1,3-6H3/b9-7+.
What are the key properties of N-[[4-methoxy-3-propan-2-yloxy-2-[(E)-prop-1-enyl]phenyl]methyl]-N-prop-2-enylacetamide?
N-[[4-methoxy-3-propan-2-yloxy-2-[(E)-prop-1-enyl]phenyl]methyl]-N-prop-2-enylacetamide has a molecular weight of 317.43 g/mol, XLogP of 4.05, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methoxy-3-propan-2-yloxy-2-[(E)-prop-1-enyl]phenyl]methyl]-N-prop-2-enylacetamide is sourced from PubChem (CID 23730675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).