3-(4-butoxy-3-methoxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide

C21H27NO4 — CID 75981223

IUPAC3-(4-butoxy-3-methoxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide
SMILESCCCCOc1ccc(C=CC(=O)N(C)Cc2ccc(C)o2)cc1OC
InChIInChI=1S/C21H27NO4/c1-5-6-13-25-19-11-8-17(14-20(19)24-4)9-12-21(23)22(3)15-18-10-7-16(2)26-18/h7-12,14H,5-6,13,15H2,1-4H3
InChIKeyDKMJNZVSHUALEB-UHFFFAOYSA-N
MW357.45 g/mol
LogP4.45
Rot. Bonds9

About 3-(4-butoxy-3-methoxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide

3-(4-butoxy-3-methoxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide (PubChem CID 75981223) has the molecular formula C21H27NO4 and a molecular weight of 357.45 g/mol. Its IUPAC name is 3-(4-butoxy-3-methoxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide.

Molecular Properties

Compound Name3-(4-butoxy-3-methoxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide
PubChem CID75981223
Molecular FormulaC21H27NO4
Molecular Weight357.45 g/mol
Exact Mass357.19
IUPAC Name3-(4-butoxy-3-methoxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide
SMILESCCCCOc1ccc(C=CC(=O)N(C)Cc2ccc(C)o2)cc1OC
InChIInChI=1S/C21H27NO4/c1-5-6-13-25-19-11-8-17(14-20(19)24-4)9-12-21(23)22(3)15-18-10-7-16(2)26-18/h7-12,14H,5-6,13,15H2,1-4H3
InChIKeyDKMJNZVSHUALEB-UHFFFAOYSA-N
XLogP4.45
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.45
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)-N-[(3-methoxyphenyl)methyl]-3-(3-methoxy-4-propoxyphenyl)-N-methylprop-2-enamide
CID 29251286
(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl chloride
CID 21322652
N-benzyl-3-(4-ethoxy-3-methoxyphenyl)-N-methylprop-2-enamide
CID 719551
(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide
CID 56810298
(E)-3-(4-hexoxy-3-methoxyphenyl)-N,N-bis(2-methylpropyl)prop-2-enamide
CID 19166248
3-(4-ethoxy-3-methoxyphenyl)-N-[(4-fluorophenyl)methyl]-N-methylprop-2-enamide
CID 76856794
ethyl 3-(4-hexoxy-3-methoxyphenyl)prop-2-enoate
CID 131846335
(E)-3-(4-butoxy-3-methoxyphenyl)-N-propylprop-2-enamide
CID 52892563
(E)-N-[2-(4-chloroanilino)-2-oxoethyl]-3-(3-methoxy-4-propoxyphenyl)-N-methylprop-2-enamide
CID 9417145
3-(4-butoxy-3-methoxyphenyl)-N-(1-methoxypropan-2-yl)prop-2-enamide
CID 78770033
(E)-N-[[4-(dimethylamino)phenyl]methyl]-3-(3-ethoxy-4-propoxyphenyl)-N-methylprop-2-enamide
CID 55371994
(4-methoxyphenyl) (E)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enoate
CID 19184908

Frequently Asked Questions

What is the IUPAC name of 3-(4-butoxy-3-methoxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide?
The IUPAC name of 3-(4-butoxy-3-methoxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide (CID 75981223) is 3-(4-butoxy-3-methoxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide.
What is the SMILES notation for 3-(4-butoxy-3-methoxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide?
The canonical SMILES for 3-(4-butoxy-3-methoxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide is CCCCOc1ccc(C=CC(=O)N(C)Cc2ccc(C)o2)cc1OC.
What is the InChIKey of 3-(4-butoxy-3-methoxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide?
The InChIKey is DKMJNZVSHUALEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO4/c1-5-6-13-25-19-11-8-17(14-20(19)24-4)9-12-21(23)22(3)15-18-10-7-16(2)26-18/h7-12,14H,5-6,13,15H2,1-4H3.
What are the key properties of 3-(4-butoxy-3-methoxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide?
3-(4-butoxy-3-methoxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide has a molecular weight of 357.45 g/mol, XLogP of 4.45, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butoxy-3-methoxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide is sourced from PubChem (CID 75981223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).