3-acetamido-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(4-methylphenyl)propanamide

C23H31N3O3 — CID 51195684

IUPAC3-acetamido-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(4-methylphenyl)propanamide
SMILESCC(=O)NC(CC(=O)NCC(c1ccco1)N1CCCCC1)c1ccc(C)cc1
InChIInChI=1S/C23H31N3O3/c1-17-8-10-19(11-9-17)20(25-18(2)27)15-23(28)24-16-21(22-7-6-14-29-22)26-12-4-3-5-13-26/h6-11,14,20-21H,3-5,12-13,15-16H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyQOLXHRJANWHFRC-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.50
Rot. Bonds8

About 3-acetamido-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(4-methylphenyl)propanamide

3-acetamido-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(4-methylphenyl)propanamide (PubChem CID 51195684) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is 3-acetamido-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-acetamido-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(4-methylphenyl)propanamide
PubChem CID51195684
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC Name3-acetamido-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(4-methylphenyl)propanamide
SMILESCC(=O)NC(CC(=O)NCC(c1ccco1)N1CCCCC1)c1ccc(C)cc1
InChIInChI=1S/C23H31N3O3/c1-17-8-10-19(11-9-17)20(25-18(2)27)15-23(28)24-16-21(22-7-6-14-29-22)26-12-4-3-5-13-26/h6-11,14,20-21H,3-5,12-13,15-16H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyQOLXHRJANWHFRC-UHFFFAOYSA-N
XLogP3.50
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-(4-methylphenyl)acetamide
CID 41099008
3-acetamido-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]propanamide
CID 110353373
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]butanamide
CID 112503325
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methyl-3-phenylpentanamide
CID 110312900
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 60636600
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 93157841
(2S)-2-acetamido-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methylbutanamide
CID 40613576
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111430213
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-phenylsulfanylacetamide
CID 35354735
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 25161656
2-(3,5-dimethylphenoxy)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide;hydrochloride
CID 146052510
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(2-methylphenoxy)acetamide
CID 26834283

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(4-methylphenyl)propanamide?
The IUPAC name of 3-acetamido-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(4-methylphenyl)propanamide (CID 51195684) is 3-acetamido-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-acetamido-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(4-methylphenyl)propanamide?
The canonical SMILES for 3-acetamido-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(4-methylphenyl)propanamide is CC(=O)NC(CC(=O)NCC(c1ccco1)N1CCCCC1)c1ccc(C)cc1.
What is the InChIKey of 3-acetamido-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(4-methylphenyl)propanamide?
The InChIKey is QOLXHRJANWHFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-17-8-10-19(11-9-17)20(25-18(2)27)15-23(28)24-16-21(22-7-6-14-29-22)26-12-4-3-5-13-26/h6-11,14,20-21H,3-5,12-13,15-16H2,1-2H3,(H,24,28)(H,25,27).
What are the key properties of 3-acetamido-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(4-methylphenyl)propanamide?
3-acetamido-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(4-methylphenyl)propanamide has a molecular weight of 397.52 g/mol, XLogP of 3.50, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 51195684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).