N-(4-ethoxyphenyl)-N-methyl-3-pyrrol-1-ylbutanamide

C17H22N2O2 — CID 71930249

IUPACN-(4-ethoxyphenyl)-N-methyl-3-pyrrol-1-ylbutanamide
SMILESCCOc1ccc(N(C)C(=O)CC(C)n2cccc2)cc1
InChIInChI=1S/C17H22N2O2/c1-4-21-16-9-7-15(8-10-16)18(3)17(20)13-14(2)19-11-5-6-12-19/h5-12,14H,4,13H2,1-3H3
InChIKeyCDFTVRNCYILOOC-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.50
Rot. Bonds6

About N-(4-ethoxyphenyl)-N-methyl-3-pyrrol-1-ylbutanamide

N-(4-ethoxyphenyl)-N-methyl-3-pyrrol-1-ylbutanamide (PubChem CID 71930249) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-N-methyl-3-pyrrol-1-ylbutanamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-N-methyl-3-pyrrol-1-ylbutanamide
PubChem CID71930249
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-(4-ethoxyphenyl)-N-methyl-3-pyrrol-1-ylbutanamide
SMILESCCOc1ccc(N(C)C(=O)CC(C)n2cccc2)cc1
InChIInChI=1S/C17H22N2O2/c1-4-21-16-9-7-15(8-10-16)18(3)17(20)13-14(2)19-11-5-6-12-19/h5-12,14H,4,13H2,1-3H3
InChIKeyCDFTVRNCYILOOC-UHFFFAOYSA-N
XLogP3.50
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(4-ethoxyphenyl)-N-methylpropanamide
CID 11460343
3-(4-ethoxy-N-methylanilino)-3-oxopropanoic acid
CID 115163301
N-(4-ethoxyphenyl)-N-methyl-2-(methylamino)acetamide
CID 96672511
3-amino-N-methyl-N-(4-propoxyphenyl)propanamide
CID 98784032
2-(dimethylamino)-N-(4-ethoxyphenyl)-3-hydroxy-N-methylbutanamide
CID 14665
N-(4-ethoxyphenyl)-N-methyl-4-pyrrol-1-ylpyridine-2-carboxamide
CID 166207114
2-(N-acetyl-4-ethoxyanilino)-N-methyl-N-phenylacetamide
CID 113173931
N-(4-ethoxyphenyl)-3-hydroxy-N-methyl-3-phenylbutanamide
CID 110025490
(E)-4-(4-ethoxy-N-methylanilino)-4-oxobut-2-enoic acid
CID 115177127
N-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-N-methylhexanamide
CID 70067011
2-[(4-ethoxy-N-methylanilino)methyl]-3-methylbutanoic acid
CID 115250265
2-bromo-N-(4-ethoxyphenyl)-N-methyl-3-oxopropanamide
CID 19966500

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-N-methyl-3-pyrrol-1-ylbutanamide?
The IUPAC name of N-(4-ethoxyphenyl)-N-methyl-3-pyrrol-1-ylbutanamide (CID 71930249) is N-(4-ethoxyphenyl)-N-methyl-3-pyrrol-1-ylbutanamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-N-methyl-3-pyrrol-1-ylbutanamide?
The canonical SMILES for N-(4-ethoxyphenyl)-N-methyl-3-pyrrol-1-ylbutanamide is CCOc1ccc(N(C)C(=O)CC(C)n2cccc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-N-methyl-3-pyrrol-1-ylbutanamide?
The InChIKey is CDFTVRNCYILOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-4-21-16-9-7-15(8-10-16)18(3)17(20)13-14(2)19-11-5-6-12-19/h5-12,14H,4,13H2,1-3H3.
What are the key properties of N-(4-ethoxyphenyl)-N-methyl-3-pyrrol-1-ylbutanamide?
N-(4-ethoxyphenyl)-N-methyl-3-pyrrol-1-ylbutanamide has a molecular weight of 286.38 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-N-methyl-3-pyrrol-1-ylbutanamide is sourced from PubChem (CID 71930249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).