(3S)-N-(4-ethylphenyl)-3-(furan-2-yl)-3-pyrrol-1-ylpropanamide

C19H20N2O2 — CID 92709021

IUPAC(3S)-N-(4-ethylphenyl)-3-(furan-2-yl)-3-pyrrol-1-ylpropanamide
SMILESCCc1ccc(NC(=O)C[C@@H](c2ccco2)n2cccc2)cc1
InChIInChI=1S/C19H20N2O2/c1-2-15-7-9-16(10-8-15)20-19(22)14-17(18-6-5-13-23-18)21-11-3-4-12-21/h3-13,17H,2,14H2,1H3,(H,20,22)/t17-/m0/s1
InChIKeyXHQUXCSJRMBBKU-KRWDZBQOSA-N
MW308.38 g/mol
LogP4.26
Rot. Bonds6

About (3S)-N-(4-ethylphenyl)-3-(furan-2-yl)-3-pyrrol-1-ylpropanamide

(3S)-N-(4-ethylphenyl)-3-(furan-2-yl)-3-pyrrol-1-ylpropanamide (PubChem CID 92709021) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is (3S)-N-(4-ethylphenyl)-3-(furan-2-yl)-3-pyrrol-1-ylpropanamide.

Molecular Properties

Compound Name(3S)-N-(4-ethylphenyl)-3-(furan-2-yl)-3-pyrrol-1-ylpropanamide
PubChem CID92709021
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name(3S)-N-(4-ethylphenyl)-3-(furan-2-yl)-3-pyrrol-1-ylpropanamide
SMILESCCc1ccc(NC(=O)C[C@@H](c2ccco2)n2cccc2)cc1
InChIInChI=1S/C19H20N2O2/c1-2-15-7-9-16(10-8-15)20-19(22)14-17(18-6-5-13-23-18)21-11-3-4-12-21/h3-13,17H,2,14H2,1H3,(H,20,22)/t17-/m0/s1
InChIKeyXHQUXCSJRMBBKU-KRWDZBQOSA-N
XLogP4.26
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(furan-2-yl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709071
(3R)-3-(furan-2-yl)-N-pyridin-3-yl-3-pyrrol-1-ylpropanamide
CID 92725440
N-[(4-chlorophenyl)methyl]-3-(furan-2-yl)-3-pyrrol-1-ylpropanamide
CID 46342550
(3R)-3-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-3-pyrrol-1-ylpropanamide
CID 92709032
[2-(4-ethylanilino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium
CID 8917889
(3R)-N,3-bis(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 92709092
3-(4-ethylphenyl)-1-[1-(furan-2-yl)ethyl]-1-(furan-2-ylmethyl)urea
CID 4523827
3-amino-N-(4-ethylphenyl)butanamide;hydrochloride
CID 119674065
N-[4-[3-(4-ethylphenyl)propanoylamino]phenyl]-3-methylbutanamide
CID 33025303
1-(4-ethylphenyl)-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]guanidine
CID 111028634
N-(4-ethylphenyl)-3-(4-methylpiperazin-1-yl)-3-phenylpropanamide
CID 169109522
(3R)-3-(3-fluorophenyl)-N-(4-fluorophenyl)-3-pyrrol-1-ylpropanamide
CID 92709390

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(4-ethylphenyl)-3-(furan-2-yl)-3-pyrrol-1-ylpropanamide?
The IUPAC name of (3S)-N-(4-ethylphenyl)-3-(furan-2-yl)-3-pyrrol-1-ylpropanamide (CID 92709021) is (3S)-N-(4-ethylphenyl)-3-(furan-2-yl)-3-pyrrol-1-ylpropanamide.
What is the SMILES notation for (3S)-N-(4-ethylphenyl)-3-(furan-2-yl)-3-pyrrol-1-ylpropanamide?
The canonical SMILES for (3S)-N-(4-ethylphenyl)-3-(furan-2-yl)-3-pyrrol-1-ylpropanamide is CCc1ccc(NC(=O)C[C@@H](c2ccco2)n2cccc2)cc1.
What is the InChIKey of (3S)-N-(4-ethylphenyl)-3-(furan-2-yl)-3-pyrrol-1-ylpropanamide?
The InChIKey is XHQUXCSJRMBBKU-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-2-15-7-9-16(10-8-15)20-19(22)14-17(18-6-5-13-23-18)21-11-3-4-12-21/h3-13,17H,2,14H2,1H3,(H,20,22)/t17-/m0/s1.
What are the key properties of (3S)-N-(4-ethylphenyl)-3-(furan-2-yl)-3-pyrrol-1-ylpropanamide?
(3S)-N-(4-ethylphenyl)-3-(furan-2-yl)-3-pyrrol-1-ylpropanamide has a molecular weight of 308.38 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(4-ethylphenyl)-3-(furan-2-yl)-3-pyrrol-1-ylpropanamide is sourced from PubChem (CID 92709021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).