N-[2-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]ethyl]furan-2-carboxamide

C20H24N2O3 — CID 33378211

IUPACN-[2-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]ethyl]furan-2-carboxamide
SMILESCC(C)(C)c1ccc(/C=C/C(=O)NCCNC(=O)c2ccco2)cc1
InChIInChI=1S/C20H24N2O3/c1-20(2,3)16-9-6-15(7-10-16)8-11-18(23)21-12-13-22-19(24)17-5-4-14-25-17/h4-11,14H,12-13H2,1-3H3,(H,21,23)(H,22,24)/b11-8+
InChIKeyJKPKGQIGBHXBOC-DHZHZOJOSA-N
MW340.42 g/mol
LogP3.14
Rot. Bonds6

About N-[2-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]ethyl]furan-2-carboxamide

N-[2-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]ethyl]furan-2-carboxamide (PubChem CID 33378211) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[2-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]ethyl]furan-2-carboxamide
PubChem CID33378211
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-[2-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]ethyl]furan-2-carboxamide
SMILESCC(C)(C)c1ccc(/C=C/C(=O)NCCNC(=O)c2ccco2)cc1
InChIInChI=1S/C20H24N2O3/c1-20(2,3)16-9-6-15(7-10-16)8-11-18(23)21-12-13-22-19(24)17-5-4-14-25-17/h4-11,14H,12-13H2,1-3H3,(H,21,23)(H,22,24)/b11-8+
InChIKeyJKPKGQIGBHXBOC-DHZHZOJOSA-N
XLogP3.14
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

(E)-3-(4-tert-butylphenyl)-N-(3-phenylpropyl)prop-2-enamide
CID 6278792
N-[2-[[(E)-3-(2-bromophenyl)prop-2-enoyl]amino]ethyl]furan-2-carboxamide
CID 34447397
N-[2-[(2-amino-2-methylpropanoyl)amino]ethyl]furan-2-carboxamide
CID 119278256
N-[2-[[(E)-3-(2-nitrophenyl)prop-2-enoyl]amino]ethyl]furan-2-carboxamide
CID 38273653
N-[2-[[(E)-3-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoyl]amino]ethyl]furan-2-carboxamide
CID 34447783
N-(4,4,4-trifluoro-3,3-dimethylbutyl)furan-2-carboxamide
CID 122159869
(E)-3-(4-tert-butylphenyl)-N-[3-(4-chlorophenyl)propyl]prop-2-enamide
CID 99998129
4-tert-butyl-N-[3-[2-(furan-2-carbonyl)hydrazinyl]-3-oxopropyl]benzamide
CID 9477234
tert-butyl N-[2-[2-(furan-2-carbonylamino)ethylamino]-2-oxoethyl]carbamate
CID 108537102
N-(4-amino-2,2-dimethylbutyl)furan-2-carboxamide
CID 106139844
N-[2-[(4-ethylbenzoyl)amino]ethyl]furan-2-carboxamide
CID 134052250
(E)-3-(4-tert-butylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)prop-2-enamide
CID 134001701

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]ethyl]furan-2-carboxamide (CID 33378211) is N-[2-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]ethyl]furan-2-carboxamide is CC(C)(C)c1ccc(/C=C/C(=O)NCCNC(=O)c2ccco2)cc1.
What is the InChIKey of N-[2-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]ethyl]furan-2-carboxamide?
The InChIKey is JKPKGQIGBHXBOC-DHZHZOJOSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-20(2,3)16-9-6-15(7-10-16)8-11-18(23)21-12-13-22-19(24)17-5-4-14-25-17/h4-11,14H,12-13H2,1-3H3,(H,21,23)(H,22,24)/b11-8+.
What are the key properties of N-[2-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]ethyl]furan-2-carboxamide?
N-[2-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]ethyl]furan-2-carboxamide has a molecular weight of 340.42 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 33378211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).