6-[[(E)-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoyl]amino]hexanoate

C22H23N2O5- — CID 7493238

IUPAC6-[[(E)-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoyl]amino]hexanoate
SMILESO=C([O-])CCCCCNC(=O)/C(=C\c1ccco1)NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C22H24N2O5/c25-20(13-12-17-8-3-1-4-9-17)24-19(16-18-10-7-15-29-18)22(28)23-14-6-2-5-11-21(26)27/h1,3-4,7-10,12-13,15-16H,2,5-6,11,14H2,(H,23,28)(H,24,25)(H,26,27)/p-1/b13-12+,19-16+
InChIKeyKLTMWLZODQIWQE-DKLJFVBZSA-M
MW395.44 g/mol
LogP1.88
Rot. Bonds11

About 6-[[(E)-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoyl]amino]hexanoate

6-[[(E)-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoyl]amino]hexanoate (PubChem CID 7493238) has the molecular formula C22H23N2O5- and a molecular weight of 395.44 g/mol. Its IUPAC name is 6-[[(E)-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoyl]amino]hexanoate.

Molecular Properties

Compound Name6-[[(E)-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoyl]amino]hexanoate
PubChem CID7493238
Molecular FormulaC22H23N2O5-
Molecular Weight395.44 g/mol
Exact Mass395.16
IUPAC Name6-[[(E)-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoyl]amino]hexanoate
SMILESO=C([O-])CCCCCNC(=O)/C(=C\c1ccco1)NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C22H24N2O5/c25-20(13-12-17-8-3-1-4-9-17)24-19(16-18-10-7-15-29-18)22(28)23-14-6-2-5-11-21(26)27/h1,3-4,7-10,12-13,15-16H,2,5-6,11,14H2,(H,23,28)(H,24,25)(H,26,27)/p-1/b13-12+,19-16+
InChIKeyKLTMWLZODQIWQE-DKLJFVBZSA-M
XLogP1.88
TPSA111.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-[[(E)-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoyl]amino]hexanoate with MolForge

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Launch Full Analysis

Related Compounds

(Z)-3-(furan-2-yl)-N-(3-hydroxypropyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide
CID 7480372
(Z)-N-benzyl-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide
CID 2293574
3-(furan-2-yl)-N-(furan-2-ylmethyl)-2-(3-phenylprop-2-enoylamino)prop-2-enamide
CID 2922117
4-[[(E)-2-[(2-chlorobenzoyl)amino]-3-(furan-2-yl)prop-2-enoyl]amino]butanoate
CID 2281559
N-butyl-3-(furan-2-yl)-2-[3-(4-methoxyphenyl)prop-2-enoylamino]prop-2-enamide
CID 2929014
N-[1-(furan-2-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-3-phenylprop-2-enamide
CID 2921436
5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]pentanoic acid
CID 62033778
N-[(Z)-1-(furan-2-yl)-3-oxo-3-(3-phenylpropylamino)prop-1-en-2-yl]benzamide
CID 86942198
N-[1-(furan-2-yl)-3-(3-methoxypropylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 2873413
N-[1-(furan-2-yl)-3-(2-hydroxyethylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 3092968
N-[(Z)-1-(furan-2-yl)-3-(4-methylpentylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 86942346
N-hydroxy-6-[[(Z)-3-phenylprop-2-enoyl]amino]hexanamide
CID 87214827

Frequently Asked Questions

What is the IUPAC name of 6-[[(E)-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoyl]amino]hexanoate?
The IUPAC name of 6-[[(E)-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoyl]amino]hexanoate (CID 7493238) is 6-[[(E)-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoyl]amino]hexanoate.
What is the SMILES notation for 6-[[(E)-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoyl]amino]hexanoate?
The canonical SMILES for 6-[[(E)-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoyl]amino]hexanoate is O=C([O-])CCCCCNC(=O)/C(=C\c1ccco1)NC(=O)/C=C/c1ccccc1.
What is the InChIKey of 6-[[(E)-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoyl]amino]hexanoate?
The InChIKey is KLTMWLZODQIWQE-DKLJFVBZSA-M. The full InChI is InChI=1S/C22H24N2O5/c25-20(13-12-17-8-3-1-4-9-17)24-19(16-18-10-7-15-29-18)22(28)23-14-6-2-5-11-21(26)27/h1,3-4,7-10,12-13,15-16H,2,5-6,11,14H2,(H,23,28)(H,24,25)(H,26,27)/p-1/b13-12+,19-16+.
What are the key properties of 6-[[(E)-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoyl]amino]hexanoate?
6-[[(E)-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoyl]amino]hexanoate has a molecular weight of 395.44 g/mol, XLogP of 1.88, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(E)-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoyl]amino]hexanoate is sourced from PubChem (CID 7493238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).