(2E)-5,5-bis(3,4-dimethoxyphenyl)-N-[5-(furan-3-yl)pentan-2-yl]penta-2,4-dienamide

C30H35NO6 — CID 22155315

IUPAC(2E)-5,5-bis(3,4-dimethoxyphenyl)-N-[5-(furan-3-yl)pentan-2-yl]penta-2,4-dienamide
SMILESCOc1ccc(C(=C/C=C/C(=O)NC(C)CCCc2ccoc2)c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C30H35NO6/c1-21(8-6-9-22-16-17-37-20-22)31-30(32)11-7-10-25(23-12-14-26(33-2)28(18-23)35-4)24-13-15-27(34-3)29(19-24)36-5/h7,10-21H,6,8-9H2,1-5H3,(H,31,32)/b11-7+
InChIKeyUKWFSTSDSPNZDB-YRNVUSSQSA-N
MW505.61 g/mol
LogP5.83
Rot. Bonds13

About (2E)-5,5-bis(3,4-dimethoxyphenyl)-N-[5-(furan-3-yl)pentan-2-yl]penta-2,4-dienamide

(2E)-5,5-bis(3,4-dimethoxyphenyl)-N-[5-(furan-3-yl)pentan-2-yl]penta-2,4-dienamide (PubChem CID 22155315) has the molecular formula C30H35NO6 and a molecular weight of 505.61 g/mol. Its IUPAC name is (2E)-5,5-bis(3,4-dimethoxyphenyl)-N-[5-(furan-3-yl)pentan-2-yl]penta-2,4-dienamide.

Molecular Properties

Compound Name(2E)-5,5-bis(3,4-dimethoxyphenyl)-N-[5-(furan-3-yl)pentan-2-yl]penta-2,4-dienamide
PubChem CID22155315
Molecular FormulaC30H35NO6
Molecular Weight505.61 g/mol
Exact Mass505.25
IUPAC Name(2E)-5,5-bis(3,4-dimethoxyphenyl)-N-[5-(furan-3-yl)pentan-2-yl]penta-2,4-dienamide
SMILESCOc1ccc(C(=C/C=C/C(=O)NC(C)CCCc2ccoc2)c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C30H35NO6/c1-21(8-6-9-22-16-17-37-20-22)31-30(32)11-7-10-25(23-12-14-26(33-2)28(18-23)35-4)24-13-15-27(34-3)29(19-24)36-5/h7,10-21H,6,8-9H2,1-5H3,(H,31,32)/b11-7+
InChIKeyUKWFSTSDSPNZDB-YRNVUSSQSA-N
XLogP5.83
TPSA79.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.61
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-5-pyridin-3-ylpentan-2-yl]-5,5-bis(3,4,5-trimethoxyphenyl)penta-2,4-dienamide
CID 54410484
5-(4-methoxynaphthalen-2-yl)-5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide
CID 54167167
5-(4-methoxyphenyl)-5-phenyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide
CID 54386374
3-fluoro-N-[(2S)-1-(furan-3-yl)propan-2-yl]-4-methoxybenzamide
CID 99874043
(E)-3-(3,4-dimethoxyphenyl)-N-[2-(furan-3-yl)ethyl]prop-2-enamide
CID 90558341
3-(3,4-dimethoxyphenyl)-N-(4-phenylbutan-2-yl)prop-2-enamide
CID 3145412
3-(3,4-dimethoxyphenyl)-N-[(2R)-4-phenylbutan-2-yl]prop-2-enamide
CID 808594
N-[3-(furan-3-yl)-3-hydroxypropyl]-3,4-dimethoxybenzamide
CID 121132771
5-(2,6-dimethoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]undeca-2,4-dienamide
CID 54150101
3,3-bis(3,4-dimethoxyphenyl)prop-2-enal
CID 14347231
N-(furan-3-ylmethyl)-3,4-dimethoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 90583211
(E)-N-[(2S)-butan-2-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 912474

Frequently Asked Questions

What is the IUPAC name of (2E)-5,5-bis(3,4-dimethoxyphenyl)-N-[5-(furan-3-yl)pentan-2-yl]penta-2,4-dienamide?
The IUPAC name of (2E)-5,5-bis(3,4-dimethoxyphenyl)-N-[5-(furan-3-yl)pentan-2-yl]penta-2,4-dienamide (CID 22155315) is (2E)-5,5-bis(3,4-dimethoxyphenyl)-N-[5-(furan-3-yl)pentan-2-yl]penta-2,4-dienamide.
What is the SMILES notation for (2E)-5,5-bis(3,4-dimethoxyphenyl)-N-[5-(furan-3-yl)pentan-2-yl]penta-2,4-dienamide?
The canonical SMILES for (2E)-5,5-bis(3,4-dimethoxyphenyl)-N-[5-(furan-3-yl)pentan-2-yl]penta-2,4-dienamide is COc1ccc(C(=C/C=C/C(=O)NC(C)CCCc2ccoc2)c2ccc(OC)c(OC)c2)cc1OC.
What is the InChIKey of (2E)-5,5-bis(3,4-dimethoxyphenyl)-N-[5-(furan-3-yl)pentan-2-yl]penta-2,4-dienamide?
The InChIKey is UKWFSTSDSPNZDB-YRNVUSSQSA-N. The full InChI is InChI=1S/C30H35NO6/c1-21(8-6-9-22-16-17-37-20-22)31-30(32)11-7-10-25(23-12-14-26(33-2)28(18-23)35-4)24-13-15-27(34-3)29(19-24)36-5/h7,10-21H,6,8-9H2,1-5H3,(H,31,32)/b11-7+.
What are the key properties of (2E)-5,5-bis(3,4-dimethoxyphenyl)-N-[5-(furan-3-yl)pentan-2-yl]penta-2,4-dienamide?
(2E)-5,5-bis(3,4-dimethoxyphenyl)-N-[5-(furan-3-yl)pentan-2-yl]penta-2,4-dienamide has a molecular weight of 505.61 g/mol, XLogP of 5.83, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-5,5-bis(3,4-dimethoxyphenyl)-N-[5-(furan-3-yl)pentan-2-yl]penta-2,4-dienamide is sourced from PubChem (CID 22155315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).