(2R)-2-[[2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]acetyl]amino]-3-methylbutanamide

C14H19N3O4 — CID 133126705

IUPAC(2R)-2-[[2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]acetyl]amino]-3-methylbutanamide
SMILESCC(C)[C@@H](NC(=O)CNC(=O)/C=C/c1ccco1)C(N)=O
InChIInChI=1S/C14H19N3O4/c1-9(2)13(14(15)20)17-12(19)8-16-11(18)6-5-10-4-3-7-21-10/h3-7,9,13H,8H2,1-2H3,(H2,15,20)(H,16,18)(H,17,19)/b6-5+/t13-/m1/s1
InChIKeyWKUJNPGXTNWFHD-URWSZGRFSA-N
MW293.32 g/mol
LogP0.04
Rot. Bonds7

About (2R)-2-[[2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]acetyl]amino]-3-methylbutanamide

(2R)-2-[[2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]acetyl]amino]-3-methylbutanamide (PubChem CID 133126705) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is (2R)-2-[[2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]acetyl]amino]-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-[[2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]acetyl]amino]-3-methylbutanamide
PubChem CID133126705
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name(2R)-2-[[2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]acetyl]amino]-3-methylbutanamide
SMILESCC(C)[C@@H](NC(=O)CNC(=O)/C=C/c1ccco1)C(N)=O
InChIInChI=1S/C14H19N3O4/c1-9(2)13(14(15)20)17-12(19)8-16-11(18)6-5-10-4-3-7-21-10/h3-7,9,13H,8H2,1-2H3,(H2,15,20)(H,16,18)(H,17,19)/b6-5+/t13-/m1/s1
InChIKeyWKUJNPGXTNWFHD-URWSZGRFSA-N
XLogP0.04
TPSA114.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2R)-2-[[2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]acetyl]amino]-3-methylbutanamide with MolForge

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Related Compounds

(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 131239465
(E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
CID 40658895
(E)-N-[2-(2-ethylanilino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
CID 8699004
methyl 2-[3-(furan-2-yl)prop-2-enoylamino]propanoate
CID 60637985
(E)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
CID 25493927
(E)-3-(furan-2-yl)-N-(2-hydroxy-2,3-dimethylbutyl)prop-2-enamide
CID 75408048
N-[2-(2-bromoanilino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
CID 4820792
(E)-3-(furan-2-yl)-N-(1-hydroxybutan-2-yl)prop-2-enamide
CID 43416620
(2S)-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-propylpropanamide
CID 7581820
3-(furan-2-yl)-N-(1-methoxypropan-2-yl)prop-2-enamide
CID 75619467
N-(2-ethyl-2-hydroxybutyl)-3-(furan-2-yl)prop-2-enamide
CID 77056421
3-[3-(furan-2-yl)prop-2-enoylamino]-2-hydroxypropanoic acid
CID 77113675

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]acetyl]amino]-3-methylbutanamide?
The IUPAC name of (2R)-2-[[2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]acetyl]amino]-3-methylbutanamide (CID 133126705) is (2R)-2-[[2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]acetyl]amino]-3-methylbutanamide.
What is the SMILES notation for (2R)-2-[[2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]acetyl]amino]-3-methylbutanamide?
The canonical SMILES for (2R)-2-[[2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]acetyl]amino]-3-methylbutanamide is CC(C)[C@@H](NC(=O)CNC(=O)/C=C/c1ccco1)C(N)=O.
What is the InChIKey of (2R)-2-[[2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]acetyl]amino]-3-methylbutanamide?
The InChIKey is WKUJNPGXTNWFHD-URWSZGRFSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-9(2)13(14(15)20)17-12(19)8-16-11(18)6-5-10-4-3-7-21-10/h3-7,9,13H,8H2,1-2H3,(H2,15,20)(H,16,18)(H,17,19)/b6-5+/t13-/m1/s1.
What are the key properties of (2R)-2-[[2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]acetyl]amino]-3-methylbutanamide?
(2R)-2-[[2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]acetyl]amino]-3-methylbutanamide has a molecular weight of 293.32 g/mol, XLogP of 0.04, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]acetyl]amino]-3-methylbutanamide is sourced from PubChem (CID 133126705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).