2-(N-butylanilino)-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone

C18H24N2O — CID 64584824

IUPAC2-(N-butylanilino)-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone
SMILESCCCCN(CC(=O)c1cc(C)[nH]c1C)c1ccccc1
InChIInChI=1S/C18H24N2O/c1-4-5-11-20(16-9-7-6-8-10-16)13-18(21)17-12-14(2)19-15(17)3/h6-10,12,19H,4-5,11,13H2,1-3H3
InChIKeyZOQILEBAXSQHEJ-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.12
Rot. Bonds7

About 2-(N-butylanilino)-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone

2-(N-butylanilino)-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone (PubChem CID 64584824) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-(N-butylanilino)-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone.

Molecular Properties

Compound Name2-(N-butylanilino)-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone
PubChem CID64584824
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name2-(N-butylanilino)-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone
SMILESCCCCN(CC(=O)c1cc(C)[nH]c1C)c1ccccc1
InChIInChI=1S/C18H24N2O/c1-4-5-11-20(16-9-7-6-8-10-16)13-18(21)17-12-14(2)19-15(17)3/h6-10,12,19H,4-5,11,13H2,1-3H3
InChIKeyZOQILEBAXSQHEJ-UHFFFAOYSA-N
XLogP4.12
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(N-methylanilino)ethanone
CID 43794443
1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[methyl-[2-(N-methylanilino)ethyl]amino]ethanone
CID 86899539
2-(N-butylanilino)-1-(3-chlorophenyl)ethanone
CID 64585605
2-[3-(diethylamino)propyl-ethylamino]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone
CID 102995140
1-(2,5-dimethyl-1H-pyrrol-3-yl)propan-1-one
CID 67574339
N,N-dibutylaniline;perchloric acid
CID 71443116
3-(N-butylanilino)prop-1-en-2-yl-trifluoroboranuide
CID 106746128
2-(carboxymethoxy)acetic acid;N,N-dibutylaniline
CID 160531229
2-[[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-methylamino]-N,N-dimethylacetamide
CID 60713368
3-(N-butylanilino)propanamide
CID 63172183
3-[(N-butylanilino)methyl]thiophene-2-carboxylic acid
CID 64585013
1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone
CID 112700724

Frequently Asked Questions

What is the IUPAC name of 2-(N-butylanilino)-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone?
The IUPAC name of 2-(N-butylanilino)-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone (CID 64584824) is 2-(N-butylanilino)-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone.
What is the SMILES notation for 2-(N-butylanilino)-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone?
The canonical SMILES for 2-(N-butylanilino)-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone is CCCCN(CC(=O)c1cc(C)[nH]c1C)c1ccccc1.
What is the InChIKey of 2-(N-butylanilino)-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone?
The InChIKey is ZOQILEBAXSQHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-4-5-11-20(16-9-7-6-8-10-16)13-18(21)17-12-14(2)19-15(17)3/h6-10,12,19H,4-5,11,13H2,1-3H3.
What are the key properties of 2-(N-butylanilino)-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone?
2-(N-butylanilino)-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone has a molecular weight of 284.40 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-butylanilino)-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone is sourced from PubChem (CID 64584824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).