(2S)-N-(furan-2-ylmethyl)-2-[[2-(4-methylphenoxy)acetyl]amino]propanamide

C17H20N2O4 — CID 110348322

IUPAC(2S)-N-(furan-2-ylmethyl)-2-[[2-(4-methylphenoxy)acetyl]amino]propanamide
SMILESCc1ccc(OCC(=O)N[C@@H](C)C(=O)NCc2ccco2)cc1
InChIInChI=1S/C17H20N2O4/c1-12-5-7-14(8-6-12)23-11-16(20)19-13(2)17(21)18-10-15-4-3-9-22-15/h3-9,13H,10-11H2,1-2H3,(H,18,21)(H,19,20)/t13-/m0/s1
InChIKeyNFOUEDMQPXOXOQ-ZDUSSCGKSA-N
MW316.36 g/mol
LogP1.79
Rot. Bonds7

About (2S)-N-(furan-2-ylmethyl)-2-[[2-(4-methylphenoxy)acetyl]amino]propanamide

(2S)-N-(furan-2-ylmethyl)-2-[[2-(4-methylphenoxy)acetyl]amino]propanamide (PubChem CID 110348322) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is (2S)-N-(furan-2-ylmethyl)-2-[[2-(4-methylphenoxy)acetyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-(furan-2-ylmethyl)-2-[[2-(4-methylphenoxy)acetyl]amino]propanamide
PubChem CID110348322
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name(2S)-N-(furan-2-ylmethyl)-2-[[2-(4-methylphenoxy)acetyl]amino]propanamide
SMILESCc1ccc(OCC(=O)N[C@@H](C)C(=O)NCc2ccco2)cc1
InChIInChI=1S/C17H20N2O4/c1-12-5-7-14(8-6-12)23-11-16(20)19-13(2)17(21)18-10-15-4-3-9-22-15/h3-9,13H,10-11H2,1-2H3,(H,18,21)(H,19,20)/t13-/m0/s1
InChIKeyNFOUEDMQPXOXOQ-ZDUSSCGKSA-N
XLogP1.79
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(furan-2-yl)ethyl]-2-(4-methylphenoxy)acetamide
CID 110733528
(2S)-N-(furan-2-ylmethyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 110348304
N-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylamino]propanamide
CID 43084593
N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide
CID 113040680
N-(furan-2-ylmethyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 51208521
(2R)-2-[3-(2,4-dimethylphenyl)propanoylamino]-N-(furan-2-ylmethyl)propanamide
CID 94812450
2-[[2-(4-ethoxyphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 9079933
2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]-N-(furan-2-ylmethyl)acetamide
CID 1260914
N-(furan-2-ylmethyl)-N'-[(Z)-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]methylideneamino]oxamide
CID 94832433
N-[1-(furan-2-yl)propan-2-yl]-2-phenoxyacetamide
CID 47148392
N-(furan-2-ylmethyl)-2-(methoxyamino)propanamide
CID 60702583
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(4-bromophenoxy)acetate
CID 7842567

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(furan-2-ylmethyl)-2-[[2-(4-methylphenoxy)acetyl]amino]propanamide?
The IUPAC name of (2S)-N-(furan-2-ylmethyl)-2-[[2-(4-methylphenoxy)acetyl]amino]propanamide (CID 110348322) is (2S)-N-(furan-2-ylmethyl)-2-[[2-(4-methylphenoxy)acetyl]amino]propanamide.
What is the SMILES notation for (2S)-N-(furan-2-ylmethyl)-2-[[2-(4-methylphenoxy)acetyl]amino]propanamide?
The canonical SMILES for (2S)-N-(furan-2-ylmethyl)-2-[[2-(4-methylphenoxy)acetyl]amino]propanamide is Cc1ccc(OCC(=O)N[C@@H](C)C(=O)NCc2ccco2)cc1.
What is the InChIKey of (2S)-N-(furan-2-ylmethyl)-2-[[2-(4-methylphenoxy)acetyl]amino]propanamide?
The InChIKey is NFOUEDMQPXOXOQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-12-5-7-14(8-6-12)23-11-16(20)19-13(2)17(21)18-10-15-4-3-9-22-15/h3-9,13H,10-11H2,1-2H3,(H,18,21)(H,19,20)/t13-/m0/s1.
What are the key properties of (2S)-N-(furan-2-ylmethyl)-2-[[2-(4-methylphenoxy)acetyl]amino]propanamide?
(2S)-N-(furan-2-ylmethyl)-2-[[2-(4-methylphenoxy)acetyl]amino]propanamide has a molecular weight of 316.36 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(furan-2-ylmethyl)-2-[[2-(4-methylphenoxy)acetyl]amino]propanamide is sourced from PubChem (CID 110348322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).