2-[[2-[furan-2-yl(prop-2-enoyl)amino]acetyl]amino]-4-methylpentanamide

C15H21N3O4 — CID 22713090

IUPAC2-[[2-[furan-2-yl(prop-2-enoyl)amino]acetyl]amino]-4-methylpentanamide
SMILESC=CC(=O)N(CC(=O)NC(CC(C)C)C(N)=O)c1ccco1
InChIInChI=1S/C15H21N3O4/c1-4-13(20)18(14-6-5-7-22-14)9-12(19)17-11(15(16)21)8-10(2)3/h4-7,10-11H,1,8-9H2,2-3H3,(H2,16,21)(H,17,19)
InChIKeyXVSASYAWMPWGHV-UHFFFAOYSA-N
MW307.35 g/mol
LogP0.81
Rot. Bonds8

About 2-[[2-[furan-2-yl(prop-2-enoyl)amino]acetyl]amino]-4-methylpentanamide

2-[[2-[furan-2-yl(prop-2-enoyl)amino]acetyl]amino]-4-methylpentanamide (PubChem CID 22713090) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-[[2-[furan-2-yl(prop-2-enoyl)amino]acetyl]amino]-4-methylpentanamide.

Molecular Properties

Compound Name2-[[2-[furan-2-yl(prop-2-enoyl)amino]acetyl]amino]-4-methylpentanamide
PubChem CID22713090
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Name2-[[2-[furan-2-yl(prop-2-enoyl)amino]acetyl]amino]-4-methylpentanamide
SMILESC=CC(=O)N(CC(=O)NC(CC(C)C)C(N)=O)c1ccco1
InChIInChI=1S/C15H21N3O4/c1-4-13(20)18(14-6-5-7-22-14)9-12(19)17-11(15(16)21)8-10(2)3/h4-7,10-11H,1,8-9H2,2-3H3,(H2,16,21)(H,17,19)
InChIKeyXVSASYAWMPWGHV-UHFFFAOYSA-N
XLogP0.81
TPSA105.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[furan-2-yl(prop-2-enoyl)amino]acetyl]amino]-4-methylpentanamide?
The IUPAC name of 2-[[2-[furan-2-yl(prop-2-enoyl)amino]acetyl]amino]-4-methylpentanamide (CID 22713090) is 2-[[2-[furan-2-yl(prop-2-enoyl)amino]acetyl]amino]-4-methylpentanamide.
What is the SMILES notation for 2-[[2-[furan-2-yl(prop-2-enoyl)amino]acetyl]amino]-4-methylpentanamide?
The canonical SMILES for 2-[[2-[furan-2-yl(prop-2-enoyl)amino]acetyl]amino]-4-methylpentanamide is C=CC(=O)N(CC(=O)NC(CC(C)C)C(N)=O)c1ccco1.
What is the InChIKey of 2-[[2-[furan-2-yl(prop-2-enoyl)amino]acetyl]amino]-4-methylpentanamide?
The InChIKey is XVSASYAWMPWGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-4-13(20)18(14-6-5-7-22-14)9-12(19)17-11(15(16)21)8-10(2)3/h4-7,10-11H,1,8-9H2,2-3H3,(H2,16,21)(H,17,19).
What are the key properties of 2-[[2-[furan-2-yl(prop-2-enoyl)amino]acetyl]amino]-4-methylpentanamide?
2-[[2-[furan-2-yl(prop-2-enoyl)amino]acetyl]amino]-4-methylpentanamide has a molecular weight of 307.35 g/mol, XLogP of 0.81, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[furan-2-yl(prop-2-enoyl)amino]acetyl]amino]-4-methylpentanamide is sourced from PubChem (CID 22713090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).