2-(4-acetamidophenyl)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide

C16H18N2O3 — CID 9482244

IUPAC2-(4-acetamidophenyl)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
SMILESCC(=O)Nc1ccc(CC(=O)N[C@@H](C)c2ccco2)cc1
InChIInChI=1S/C16H18N2O3/c1-11(15-4-3-9-21-15)17-16(20)10-13-5-7-14(8-6-13)18-12(2)19/h3-9,11H,10H2,1-2H3,(H,17,20)(H,18,19)/t11-/m0/s1
InChIKeySDEFPKQHYGLQIQ-NSHDSACASA-N
MW286.33 g/mol
LogP2.66
Rot. Bonds5

About 2-(4-acetamidophenyl)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide

2-(4-acetamidophenyl)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide (PubChem CID 9482244) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
PubChem CID9482244
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-(4-acetamidophenyl)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
SMILESCC(=O)Nc1ccc(CC(=O)N[C@@H](C)c2ccco2)cc1
InChIInChI=1S/C16H18N2O3/c1-11(15-4-3-9-21-15)17-16(20)10-13-5-7-14(8-6-13)18-12(2)19/h3-9,11H,10H2,1-2H3,(H,17,20)(H,18,19)/t11-/m0/s1
InChIKeySDEFPKQHYGLQIQ-NSHDSACASA-N
XLogP2.66
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(furan-2-yl)ethyl]acetamide
CID 22460009
2-(6-ethyl-1-benzofuran-3-yl)-N-[1-(furan-2-yl)ethyl]acetamide
CID 18110361
3,5-diacetamido-N-[1-(furan-2-yl)ethyl]benzamide
CID 18110352
2-(4-acetamidophenyl)-N-[(1R)-1-pyridin-4-ylethyl]acetamide
CID 39964120
N-[1-(furan-2-yl)ethyl]-2-(3-methoxyphenyl)acetamide
CID 18116881
2-(4-acetamidophenyl)-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 108792620
1-[(1S)-1-(furan-2-yl)ethyl]-3-phenylurea
CID 51473392
3-amino-N-[(1R)-1-(furan-2-yl)ethyl]butanamide
CID 81400293
4-[1-(furan-2-yl)ethylamino]-4-oxobutanoic acid
CID 43535656
2-(ethylamino)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 81400688
1-[(1R)-1-(furan-2-yl)ethyl]-3-phenylurea
CID 51473393
4-[1-(furan-2-yl)ethylcarbamoylamino]benzoic acid
CID 61199818

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide?
The IUPAC name of 2-(4-acetamidophenyl)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide (CID 9482244) is 2-(4-acetamidophenyl)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-acetamidophenyl)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide is CC(=O)Nc1ccc(CC(=O)N[C@@H](C)c2ccco2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide?
The InChIKey is SDEFPKQHYGLQIQ-NSHDSACASA-N. The full InChI is InChI=1S/C16H18N2O3/c1-11(15-4-3-9-21-15)17-16(20)10-13-5-7-14(8-6-13)18-12(2)19/h3-9,11H,10H2,1-2H3,(H,17,20)(H,18,19)/t11-/m0/s1.
What are the key properties of 2-(4-acetamidophenyl)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide?
2-(4-acetamidophenyl)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide has a molecular weight of 286.33 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide is sourced from PubChem (CID 9482244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).