3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(2-methylidene-5-oxo-3-prop-2-ynylpyrrol-1-yl)propanamide

C23H26N2O4 — CID 142831924

IUPAC3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(2-methylidene-5-oxo-3-prop-2-ynylpyrrol-1-yl)propanamide
SMILESC#CCC1=CC(=O)N(C(CC(N)=O)c2ccc(OC)c(OC3CCCC3)c2)C1=C
InChIInChI=1S/C23H26N2O4/c1-4-7-16-13-23(27)25(15(16)2)19(14-22(24)26)17-10-11-20(28-3)21(12-17)29-18-8-5-6-9-18/h1,10-13,18-19H,2,5-9,14H2,3H3,(H2,24,26)
InChIKeyVQSUTZMVMDBVHY-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.24
Rot. Bonds8

About 3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(2-methylidene-5-oxo-3-prop-2-ynylpyrrol-1-yl)propanamide

3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(2-methylidene-5-oxo-3-prop-2-ynylpyrrol-1-yl)propanamide (PubChem CID 142831924) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(2-methylidene-5-oxo-3-prop-2-ynylpyrrol-1-yl)propanamide.

Molecular Properties

Compound Name3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(2-methylidene-5-oxo-3-prop-2-ynylpyrrol-1-yl)propanamide
PubChem CID142831924
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(2-methylidene-5-oxo-3-prop-2-ynylpyrrol-1-yl)propanamide
SMILESC#CCC1=CC(=O)N(C(CC(N)=O)c2ccc(OC)c(OC3CCCC3)c2)C1=C
InChIInChI=1S/C23H26N2O4/c1-4-7-16-13-23(27)25(15(16)2)19(14-22(24)26)17-10-11-20(28-3)21(12-17)29-18-8-5-6-9-18/h1,10-13,18-19H,2,5-9,14H2,3H3,(H2,24,26)
InChIKeyVQSUTZMVMDBVHY-UHFFFAOYSA-N
XLogP3.24
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)-N-ethylpropanamide;3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 159704439
3-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 23030991
3-(4-cyclopentyloxy-3-ethoxyphenyl)-3-(1,3-dioxobenzo[f]isoindol-2-yl)propanamide
CID 22022292
[[(3S)-3-(4-acetamido-1,3-dioxoisoindol-2-yl)-3-(3-cyclopentyloxy-4-methoxyphenyl)propanoyl]amino] acetate
CID 10142891
2-(3-cyclobutyloxy-4-methoxyphenyl)propanoic acid
CID 117378818
3-[3-(2-bicyclo[2.2.2]octanyloxy)-4-methoxyphenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 19690172
3-[3-(2-bicyclo[3.2.1]octanyloxy)-4-methoxyphenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 19690161
(3-cyclopentyloxy-4-methoxyphenyl)methyl cyclohexanecarboxylate
CID 174456641
3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1-oxido-3-oxo-1,2-dihydropyrrolo[3,2-c]pyridin-1-ium-2-yl)propanamide
CID 87908370
N-[2-(3-cyclopentyloxy-4-methoxyphenyl)propyl]acetamide
CID 142072683
(2S)-2-amino-2-(4-cyclopentyloxy-3-methoxyphenyl)acetic acid
CID 66513349
2-amino-2-(4-cyclopentyloxy-3-methoxyphenyl)acetic acid
CID 77129521

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(2-methylidene-5-oxo-3-prop-2-ynylpyrrol-1-yl)propanamide?
The IUPAC name of 3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(2-methylidene-5-oxo-3-prop-2-ynylpyrrol-1-yl)propanamide (CID 142831924) is 3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(2-methylidene-5-oxo-3-prop-2-ynylpyrrol-1-yl)propanamide.
What is the SMILES notation for 3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(2-methylidene-5-oxo-3-prop-2-ynylpyrrol-1-yl)propanamide?
The canonical SMILES for 3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(2-methylidene-5-oxo-3-prop-2-ynylpyrrol-1-yl)propanamide is C#CCC1=CC(=O)N(C(CC(N)=O)c2ccc(OC)c(OC3CCCC3)c2)C1=C.
What is the InChIKey of 3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(2-methylidene-5-oxo-3-prop-2-ynylpyrrol-1-yl)propanamide?
The InChIKey is VQSUTZMVMDBVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-4-7-16-13-23(27)25(15(16)2)19(14-22(24)26)17-10-11-20(28-3)21(12-17)29-18-8-5-6-9-18/h1,10-13,18-19H,2,5-9,14H2,3H3,(H2,24,26).
What are the key properties of 3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(2-methylidene-5-oxo-3-prop-2-ynylpyrrol-1-yl)propanamide?
3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(2-methylidene-5-oxo-3-prop-2-ynylpyrrol-1-yl)propanamide has a molecular weight of 394.47 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(2-methylidene-5-oxo-3-prop-2-ynylpyrrol-1-yl)propanamide is sourced from PubChem (CID 142831924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).