N-[2-[2-(4-methoxyphenyl)pyrrol-1-yl]ethyl]acetamide

C15H18N2O2 — CID 19095262

IUPACN-[2-[2-(4-methoxyphenyl)pyrrol-1-yl]ethyl]acetamide
SMILESCOc1ccc(-c2cccn2CCNC(C)=O)cc1
InChIInChI=1S/C15H18N2O2/c1-12(18)16-9-11-17-10-3-4-15(17)13-5-7-14(19-2)8-6-13/h3-8,10H,9,11H2,1-2H3,(H,16,18)
InChIKeyQMCBXLRPDOOQSU-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.30
Rot. Bonds5

About N-[2-[2-(4-methoxyphenyl)pyrrol-1-yl]ethyl]acetamide

N-[2-[2-(4-methoxyphenyl)pyrrol-1-yl]ethyl]acetamide (PubChem CID 19095262) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[2-[2-(4-methoxyphenyl)pyrrol-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(4-methoxyphenyl)pyrrol-1-yl]ethyl]acetamide
PubChem CID19095262
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-[2-[2-(4-methoxyphenyl)pyrrol-1-yl]ethyl]acetamide
SMILESCOc1ccc(-c2cccn2CCNC(C)=O)cc1
InChIInChI=1S/C15H18N2O2/c1-12(18)16-9-11-17-10-3-4-15(17)13-5-7-14(19-2)8-6-13/h3-8,10H,9,11H2,1-2H3,(H,16,18)
InChIKeyQMCBXLRPDOOQSU-UHFFFAOYSA-N
XLogP2.30
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[2-(3,4-dimethoxyphenyl)pyrrol-1-yl]ethyl]acetamide
CID 19095412
N-(2-acetamidoethyl)-4-methoxybenzamide
CID 30596623
N-[3-(4-methoxyphenoxy)propyl]acetamide
CID 60578635
N-[2-(7-methoxy-4,5-dihydrobenzo[g]indol-1-yl)ethyl]acetamide
CID 19036463
N-[2-(6-methoxypyrrolo[2,3-b]pyridin-1-yl)ethyl]acetamide
CID 52918077
methyl 2-[2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetate
CID 3063473
N-[(4-methoxyphenyl)methyl]acetamide;hydrochloride
CID 139808929
N-(2-acetamidoethyl)-2-(4-methoxyphenyl)-2-methylpropanamide
CID 110437825
2-(4-methoxyphenyl)ethanamine;N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 158927905
N-[2-(N-acetyl-4-methoxyanilino)ethyl]acetamide
CID 91715659
N-[2-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]ethyl]acetamide
CID 58806583
N-(2-acetamidoethyl)-3-(4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide
CID 91924469

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-methoxyphenyl)pyrrol-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[2-(4-methoxyphenyl)pyrrol-1-yl]ethyl]acetamide (CID 19095262) is N-[2-[2-(4-methoxyphenyl)pyrrol-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-(4-methoxyphenyl)pyrrol-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[2-(4-methoxyphenyl)pyrrol-1-yl]ethyl]acetamide is COc1ccc(-c2cccn2CCNC(C)=O)cc1.
What is the InChIKey of N-[2-[2-(4-methoxyphenyl)pyrrol-1-yl]ethyl]acetamide?
The InChIKey is QMCBXLRPDOOQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-12(18)16-9-11-17-10-3-4-15(17)13-5-7-14(19-2)8-6-13/h3-8,10H,9,11H2,1-2H3,(H,16,18).
What are the key properties of N-[2-[2-(4-methoxyphenyl)pyrrol-1-yl]ethyl]acetamide?
N-[2-[2-(4-methoxyphenyl)pyrrol-1-yl]ethyl]acetamide has a molecular weight of 258.32 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-methoxyphenyl)pyrrol-1-yl]ethyl]acetamide is sourced from PubChem (CID 19095262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).