4-methoxy-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide

C19H24N2O3 — CID 26834639

IUPAC4-methoxy-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
SMILESCOc1ccc(C(=O)NC[C@@H](c2ccc(C)o2)N2CCCC2)cc1
InChIInChI=1S/C19H24N2O3/c1-14-5-10-18(24-14)17(21-11-3-4-12-21)13-20-19(22)15-6-8-16(23-2)9-7-15/h5-10,17H,3-4,11-13H2,1-2H3,(H,20,22)/t17-/m0/s1
InChIKeyBKUJWQOBODDWLD-KRWDZBQOSA-N
MW328.41 g/mol
LogP3.16
Rot. Bonds6

About 4-methoxy-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide

4-methoxy-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide (PubChem CID 26834639) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 4-methoxy-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
PubChem CID26834639
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name4-methoxy-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
SMILESCOc1ccc(C(=O)NC[C@@H](c2ccc(C)o2)N2CCCC2)cc1
InChIInChI=1S/C19H24N2O3/c1-14-5-10-18(24-14)17(21-11-3-4-12-21)13-20-19(22)15-6-8-16(23-2)9-7-15/h5-10,17H,3-4,11-13H2,1-2H3,(H,20,22)/t17-/m0/s1
InChIKeyBKUJWQOBODDWLD-KRWDZBQOSA-N
XLogP3.16
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 146052593
4-bromo-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 26834649
4-fluoro-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 146052595
4-tert-butyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 146052592
N-[(2S)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 26834523
N-[(2R)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 26834521
6-methyl-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide
CID 95283314
N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-4-methoxybenzamide
CID 34954942
methyl 4-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]benzoate
CID 51161556
N-[(2S)-2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-propan-2-yloxybenzamide
CID 26834823
N-[(2R)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-methoxybenzamide
CID 40782506
4-fluoro-N-[(2S)-2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 35674097

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide?
The IUPAC name of 4-methoxy-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide (CID 26834639) is 4-methoxy-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide?
The canonical SMILES for 4-methoxy-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide is COc1ccc(C(=O)NC[C@@H](c2ccc(C)o2)N2CCCC2)cc1.
What is the InChIKey of 4-methoxy-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide?
The InChIKey is BKUJWQOBODDWLD-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-14-5-10-18(24-14)17(21-11-3-4-12-21)13-20-19(22)15-6-8-16(23-2)9-7-15/h5-10,17H,3-4,11-13H2,1-2H3,(H,20,22)/t17-/m0/s1.
What are the key properties of 4-methoxy-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide?
4-methoxy-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide has a molecular weight of 328.41 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide is sourced from PubChem (CID 26834639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).