2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N,N,N',N'-tetrapropylpentanediamide

C24H39N3O4 — CID 6445014

IUPAC2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N,N,N',N'-tetrapropylpentanediamide
SMILESCCCN(CCC)C(=O)CCC(NC(=O)/C=C/c1ccco1)C(=O)N(CCC)CCC
InChIInChI=1S/C24H39N3O4/c1-5-15-26(16-6-2)23(29)14-12-21(24(30)27(17-7-3)18-8-4)25-22(28)13-11-20-10-9-19-31-20/h9-11,13,19,21H,5-8,12,14-18H2,1-4H3,(H,25,28)/b13-11+
InChIKeyPQZYMGPNKZYTDB-ACCUITESSA-N
MW433.59 g/mol
LogP3.86
Rot. Bonds15

About 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N,N,N',N'-tetrapropylpentanediamide

2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N,N,N',N'-tetrapropylpentanediamide (PubChem CID 6445014) has the molecular formula C24H39N3O4 and a molecular weight of 433.59 g/mol. Its IUPAC name is 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N,N,N',N'-tetrapropylpentanediamide.

Molecular Properties

Compound Name2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N,N,N',N'-tetrapropylpentanediamide
PubChem CID6445014
Molecular FormulaC24H39N3O4
Molecular Weight433.59 g/mol
Exact Mass433.29
IUPAC Name2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N,N,N',N'-tetrapropylpentanediamide
SMILESCCCN(CCC)C(=O)CCC(NC(=O)/C=C/c1ccco1)C(=O)N(CCC)CCC
InChIInChI=1S/C24H39N3O4/c1-5-15-26(16-6-2)23(29)14-12-21(24(30)27(17-7-3)18-8-4)25-22(28)13-11-20-10-9-19-31-20/h9-11,13,19,21H,5-8,12,14-18H2,1-4H3,(H,25,28)/b13-11+
InChIKeyPQZYMGPNKZYTDB-ACCUITESSA-N
XLogP3.86
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.59
LogP ≤ 53.86
H-Bond Donors ≤ 51
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-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N,N,N',N'-tetrapropylpentanediamide?
The IUPAC name of 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N,N,N',N'-tetrapropylpentanediamide (CID 6445014) is 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N,N,N',N'-tetrapropylpentanediamide.
What is the SMILES notation for 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N,N,N',N'-tetrapropylpentanediamide?
The canonical SMILES for 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N,N,N',N'-tetrapropylpentanediamide is CCCN(CCC)C(=O)CCC(NC(=O)/C=C/c1ccco1)C(=O)N(CCC)CCC.
What is the InChIKey of 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N,N,N',N'-tetrapropylpentanediamide?
The InChIKey is PQZYMGPNKZYTDB-ACCUITESSA-N. The full InChI is InChI=1S/C24H39N3O4/c1-5-15-26(16-6-2)23(29)14-12-21(24(30)27(17-7-3)18-8-4)25-22(28)13-11-20-10-9-19-31-20/h9-11,13,19,21H,5-8,12,14-18H2,1-4H3,(H,25,28)/b13-11+.
What are the key properties of 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N,N,N',N'-tetrapropylpentanediamide?
2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N,N,N',N'-tetrapropylpentanediamide has a molecular weight of 433.59 g/mol, XLogP of 3.86, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N,N,N',N'-tetrapropylpentanediamide is sourced from PubChem (CID 6445014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).