(2S)-2-acetamido-3-(4-hydroxyphenyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]propanamide

C18H22N2O4 — CID 166302742

IUPAC(2S)-2-acetamido-3-(4-hydroxyphenyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]propanamide
SMILESCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N(C)Cc1ccoc1C
InChIInChI=1S/C18H22N2O4/c1-12-15(8-9-24-12)11-20(3)18(23)17(19-13(2)21)10-14-4-6-16(22)7-5-14/h4-9,17,22H,10-11H2,1-3H3,(H,19,21)/t17-/m0/s1
InChIKeyUUJIUUQDAQSBKI-KRWDZBQOSA-N
MW330.38 g/mol
LogP2.00
Rot. Bonds6

About (2S)-2-acetamido-3-(4-hydroxyphenyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]propanamide

(2S)-2-acetamido-3-(4-hydroxyphenyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]propanamide (PubChem CID 166302742) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is (2S)-2-acetamido-3-(4-hydroxyphenyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-acetamido-3-(4-hydroxyphenyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]propanamide
PubChem CID166302742
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name(2S)-2-acetamido-3-(4-hydroxyphenyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]propanamide
SMILESCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N(C)Cc1ccoc1C
InChIInChI=1S/C18H22N2O4/c1-12-15(8-9-24-12)11-20(3)18(23)17(19-13(2)21)10-14-4-6-16(22)7-5-14/h4-9,17,22H,10-11H2,1-3H3,(H,19,21)/t17-/m0/s1
InChIKeyUUJIUUQDAQSBKI-KRWDZBQOSA-N
XLogP2.00
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(2-methylfuran-3-yl)methyl]-3-phenyl-2-sulfanylpropanamide
CID 107024425
(2R)-3-(4-hydroxyphenyl)-2-[(2-methylfuran-3-carbonyl)amino]propanoic acid
CID 30051960
2-acetamido-N-cyano-N-ethyl-3-(4-hydroxyphenyl)propanamide
CID 87927918
ethyl (2S)-2-acetamido-3-(4-hydroxyphenyl)propanoate;hydrate
CID 2723594
methyl (2S)-2-acetamido-3-(4-hydroxyphenyl)propanoate;hydrate
CID 56777278
4-hydroxy-2-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]butanoic acid
CID 61423925
(2S)-2-acetamido-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-hydrazinyl-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide
CID 71695731
2-amino-4-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]butanamide
CID 62477479
3-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]-2-phenyl-3-sulfanylidenepropanamide
CID 62877910
N-methyl-N-[(2-methylfuran-3-yl)methyl]hydroxylamine
CID 96732982
(2S)-2-acetamido-N-butyl-3-(4-hydroxyphenyl)propanamide
CID 102031408
2-acetamido-N-(cyanomethyl)-3-(4-hydroxyphenyl)propanamide
CID 87927995

Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-3-(4-hydroxyphenyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]propanamide?
The IUPAC name of (2S)-2-acetamido-3-(4-hydroxyphenyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]propanamide (CID 166302742) is (2S)-2-acetamido-3-(4-hydroxyphenyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]propanamide.
What is the SMILES notation for (2S)-2-acetamido-3-(4-hydroxyphenyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]propanamide?
The canonical SMILES for (2S)-2-acetamido-3-(4-hydroxyphenyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]propanamide is CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N(C)Cc1ccoc1C.
What is the InChIKey of (2S)-2-acetamido-3-(4-hydroxyphenyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]propanamide?
The InChIKey is UUJIUUQDAQSBKI-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-12-15(8-9-24-12)11-20(3)18(23)17(19-13(2)21)10-14-4-6-16(22)7-5-14/h4-9,17,22H,10-11H2,1-3H3,(H,19,21)/t17-/m0/s1.
What are the key properties of (2S)-2-acetamido-3-(4-hydroxyphenyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]propanamide?
(2S)-2-acetamido-3-(4-hydroxyphenyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]propanamide has a molecular weight of 330.38 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-3-(4-hydroxyphenyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]propanamide is sourced from PubChem (CID 166302742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).