N-butyl-3-(furan-2-yl)-2-[3-(4-methoxyphenyl)prop-2-enoylamino]prop-2-enamide

C21H24N2O4 — CID 2929014

IUPACN-butyl-3-(furan-2-yl)-2-[3-(4-methoxyphenyl)prop-2-enoylamino]prop-2-enamide
SMILESCCCCNC(=O)C(=Cc1ccco1)NC(=O)C=Cc1ccc(OC)cc1
InChIInChI=1S/C21H24N2O4/c1-3-4-13-22-21(25)19(15-18-6-5-14-27-18)23-20(24)12-9-16-7-10-17(26-2)11-8-16/h5-12,14-15H,3-4,13H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyQIIBMTQQZXPZTL-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.38
Rot. Bonds9

About N-butyl-3-(furan-2-yl)-2-[3-(4-methoxyphenyl)prop-2-enoylamino]prop-2-enamide

N-butyl-3-(furan-2-yl)-2-[3-(4-methoxyphenyl)prop-2-enoylamino]prop-2-enamide (PubChem CID 2929014) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is N-butyl-3-(furan-2-yl)-2-[3-(4-methoxyphenyl)prop-2-enoylamino]prop-2-enamide.

Molecular Properties

Compound NameN-butyl-3-(furan-2-yl)-2-[3-(4-methoxyphenyl)prop-2-enoylamino]prop-2-enamide
PubChem CID2929014
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC NameN-butyl-3-(furan-2-yl)-2-[3-(4-methoxyphenyl)prop-2-enoylamino]prop-2-enamide
SMILESCCCCNC(=O)C(=Cc1ccco1)NC(=O)C=Cc1ccc(OC)cc1
InChIInChI=1S/C21H24N2O4/c1-3-4-13-22-21(25)19(15-18-6-5-14-27-18)23-20(24)12-9-16-7-10-17(26-2)11-8-16/h5-12,14-15H,3-4,13H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyQIIBMTQQZXPZTL-UHFFFAOYSA-N
XLogP3.38
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(furan-2-yl)-N-(3-hydroxypropyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide
CID 7480372
(Z)-2-acetamido-N-butyl-3-(4-methoxyphenyl)prop-2-enamide
CID 102005340
6-[[(E)-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoyl]amino]hexanoate
CID 7493238
3-(4-methoxyphenyl)-N-nonylprop-2-enamide
CID 4278604
(E)-N-(hexadecylcarbamothioyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 6276241
(Z)-N-benzyl-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide
CID 2293574
N-[3-(butylamino)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 3094240
3-(furan-2-yl)-N-(furan-2-ylmethyl)-2-(3-phenylprop-2-enoylamino)prop-2-enamide
CID 2922117
ethyl (E,2E)-2-(furan-2-ylmethylidene)-4-(4-methoxyphenyl)but-3-enoate
CID 101496256
3-(furan-2-yl)-N-hexylprop-2-enamide
CID 3705621
N-[(Z)-3-[2-(4-chlorophenoxy)ethylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-methoxybenzamide
CID 100545825
N-[(Z)-1-(furan-2-yl)-3-[2-(4-methoxyphenoxy)ethylamino]-3-oxoprop-1-en-2-yl]-2-methylbenzamide
CID 100556040

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(furan-2-yl)-2-[3-(4-methoxyphenyl)prop-2-enoylamino]prop-2-enamide?
The IUPAC name of N-butyl-3-(furan-2-yl)-2-[3-(4-methoxyphenyl)prop-2-enoylamino]prop-2-enamide (CID 2929014) is N-butyl-3-(furan-2-yl)-2-[3-(4-methoxyphenyl)prop-2-enoylamino]prop-2-enamide.
What is the SMILES notation for N-butyl-3-(furan-2-yl)-2-[3-(4-methoxyphenyl)prop-2-enoylamino]prop-2-enamide?
The canonical SMILES for N-butyl-3-(furan-2-yl)-2-[3-(4-methoxyphenyl)prop-2-enoylamino]prop-2-enamide is CCCCNC(=O)C(=Cc1ccco1)NC(=O)C=Cc1ccc(OC)cc1.
What is the InChIKey of N-butyl-3-(furan-2-yl)-2-[3-(4-methoxyphenyl)prop-2-enoylamino]prop-2-enamide?
The InChIKey is QIIBMTQQZXPZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-3-4-13-22-21(25)19(15-18-6-5-14-27-18)23-20(24)12-9-16-7-10-17(26-2)11-8-16/h5-12,14-15H,3-4,13H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of N-butyl-3-(furan-2-yl)-2-[3-(4-methoxyphenyl)prop-2-enoylamino]prop-2-enamide?
N-butyl-3-(furan-2-yl)-2-[3-(4-methoxyphenyl)prop-2-enoylamino]prop-2-enamide has a molecular weight of 368.43 g/mol, XLogP of 3.38, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(furan-2-yl)-2-[3-(4-methoxyphenyl)prop-2-enoylamino]prop-2-enamide is sourced from PubChem (CID 2929014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).