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

C17H20N2O4 — CID 110348304

IUPAC(2S)-N-(furan-2-ylmethyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
SMILESCOc1ccc(CC(=O)N[C@@H](C)C(=O)NCc2ccco2)cc1
InChIInChI=1S/C17H20N2O4/c1-12(17(21)18-11-15-4-3-9-23-15)19-16(20)10-13-5-7-14(22-2)8-6-13/h3-9,12H,10-11H2,1-2H3,(H,18,21)(H,19,20)/t12-/m0/s1
InChIKeyJUFOBLPXGIQGCS-LBPRGKRZSA-N
MW316.36 g/mol
LogP1.65
Rot. Bonds7

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

(2S)-N-(furan-2-ylmethyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide (PubChem CID 110348304) 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-methoxyphenyl)acetyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-(furan-2-ylmethyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
PubChem CID110348304
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name(2S)-N-(furan-2-ylmethyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
SMILESCOc1ccc(CC(=O)N[C@@H](C)C(=O)NCc2ccco2)cc1
InChIInChI=1S/C17H20N2O4/c1-12(17(21)18-11-15-4-3-9-23-15)19-16(20)10-13-5-7-14(22-2)8-6-13/h3-9,12H,10-11H2,1-2H3,(H,18,21)(H,19,20)/t12-/m0/s1
InChIKeyJUFOBLPXGIQGCS-LBPRGKRZSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate
CID 7705386
N-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-3,5-dimethoxybenzamide
CID 110348293
N-(furan-2-ylmethyl)-2-(methoxyamino)propanamide
CID 60702583
N-(furan-2-ylmethyl)-2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]propanamide
CID 51096389
2-chloro-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-4-methoxybenzamide
CID 167977484
(2S)-N-(furan-2-ylmethyl)-2-[[2-(4-methylphenoxy)acetyl]amino]propanamide
CID 110348322
N-(furan-2-ylmethyl)-2-[(4-propan-2-yloxyphenyl)methylamino]propanamide
CID 119128983
N-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-5-methoxy-1-methylindole-2-carboxamide
CID 42537191
(3S)-N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-4-methylpentanamide
CID 7082801
N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-4-methoxybenzamide
CID 110351238
N-(furan-2-ylmethyl)-N'-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]oxamide
CID 124878229
N-[(2S)-1-hydrazinyl-1-oxopropan-2-yl]-2-(4-methoxyphenyl)acetamide
CID 39819173

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(furan-2-ylmethyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide?
The IUPAC name of (2S)-N-(furan-2-ylmethyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide (CID 110348304) is (2S)-N-(furan-2-ylmethyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide.
What is the SMILES notation for (2S)-N-(furan-2-ylmethyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide?
The canonical SMILES for (2S)-N-(furan-2-ylmethyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide is COc1ccc(CC(=O)N[C@@H](C)C(=O)NCc2ccco2)cc1.
What is the InChIKey of (2S)-N-(furan-2-ylmethyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide?
The InChIKey is JUFOBLPXGIQGCS-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-12(17(21)18-11-15-4-3-9-23-15)19-16(20)10-13-5-7-14(22-2)8-6-13/h3-9,12H,10-11H2,1-2H3,(H,18,21)(H,19,20)/t12-/m0/s1.
What are the key properties of (2S)-N-(furan-2-ylmethyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide?
(2S)-N-(furan-2-ylmethyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide has a molecular weight of 316.36 g/mol, XLogP of 1.65, 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-methoxyphenyl)acetyl]amino]propanamide is sourced from PubChem (CID 110348304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).