N-(2,5-dimethoxyphenyl)-3-pyrrol-1-ylpropanamide

C15H18N2O3 — CID 3241935

IUPACN-(2,5-dimethoxyphenyl)-3-pyrrol-1-ylpropanamide
SMILESCOc1ccc(OC)c(NC(=O)CCn2cccc2)c1
InChIInChI=1S/C15H18N2O3/c1-19-12-5-6-14(20-2)13(11-12)16-15(18)7-10-17-8-3-4-9-17/h3-6,8-9,11H,7,10H2,1-2H3,(H,16,18)
InChIKeyAYDAQSXGFDXJOC-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.53
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-3-pyrrol-1-ylpropanamide

N-(2,5-dimethoxyphenyl)-3-pyrrol-1-ylpropanamide (PubChem CID 3241935) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-3-pyrrol-1-ylpropanamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-3-pyrrol-1-ylpropanamide
PubChem CID3241935
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-(2,5-dimethoxyphenyl)-3-pyrrol-1-ylpropanamide
SMILESCOc1ccc(OC)c(NC(=O)CCn2cccc2)c1
InChIInChI=1S/C15H18N2O3/c1-19-12-5-6-14(20-2)13(11-12)16-15(18)7-10-17-8-3-4-9-17/h3-6,8-9,11H,7,10H2,1-2H3,(H,16,18)
InChIKeyAYDAQSXGFDXJOC-UHFFFAOYSA-N
XLogP2.53
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 35495479
N-(2,5-dimethoxyphenyl)-3-(4-methoxyphenoxy)propanamide
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N-(2,5-dimethoxyphenyl)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide
CID 739992
N-(2,5-dimethoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
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N-(2,5-dimethoxyphenyl)hexadecanamide
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N-(2,5-dimethoxyphenyl)-3-(3-pyridin-2-ylazetidin-1-yl)propanamide
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CID 16876325
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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-3-pyrrol-1-ylpropanamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-3-pyrrol-1-ylpropanamide (CID 3241935) is N-(2,5-dimethoxyphenyl)-3-pyrrol-1-ylpropanamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-3-pyrrol-1-ylpropanamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-3-pyrrol-1-ylpropanamide is COc1ccc(OC)c(NC(=O)CCn2cccc2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-3-pyrrol-1-ylpropanamide?
The InChIKey is AYDAQSXGFDXJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-19-12-5-6-14(20-2)13(11-12)16-15(18)7-10-17-8-3-4-9-17/h3-6,8-9,11H,7,10H2,1-2H3,(H,16,18).
What are the key properties of N-(2,5-dimethoxyphenyl)-3-pyrrol-1-ylpropanamide?
N-(2,5-dimethoxyphenyl)-3-pyrrol-1-ylpropanamide has a molecular weight of 274.32 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-3-pyrrol-1-ylpropanamide is sourced from PubChem (CID 3241935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).