N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-prop-2-enylfuran-2-carboxamide

C20H24N2O3 — CID 3432317

IUPACN-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-prop-2-enylfuran-2-carboxamide
SMILESC=CCN(C(=O)c1ccco1)C(C(=O)NC(C)(C)C)c1ccccc1
InChIInChI=1S/C20H24N2O3/c1-5-13-22(19(24)16-12-9-14-25-16)17(15-10-7-6-8-11-15)18(23)21-20(2,3)4/h5-12,14,17H,1,13H2,2-4H3,(H,21,23)
InChIKeyQFRZWVSXSOFCGW-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.56
Rot. Bonds6

About N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-prop-2-enylfuran-2-carboxamide

N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-prop-2-enylfuran-2-carboxamide (PubChem CID 3432317) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-prop-2-enylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-prop-2-enylfuran-2-carboxamide
PubChem CID3432317
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-prop-2-enylfuran-2-carboxamide
SMILESC=CCN(C(=O)c1ccco1)C(C(=O)NC(C)(C)C)c1ccccc1
InChIInChI=1S/C20H24N2O3/c1-5-13-22(19(24)16-12-9-14-25-16)17(15-10-7-6-8-11-15)18(23)21-20(2,3)4/h5-12,14,17H,1,13H2,2-4H3,(H,21,23)
InChIKeyQFRZWVSXSOFCGW-UHFFFAOYSA-N
XLogP3.56
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-cyclopropylfuran-2-carboxamide
CID 7224488
N-(3-acetylphenyl)-N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]furan-2-carboxamide
CID 3221190
N-[2-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-prop-2-enylamino]-2-oxoethyl]furan-2-carboxamide
CID 650817
N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-phenylethyl]-N-prop-2-enylthiadiazole-4-carboxamide
CID 3222505
N-[2-[[(1S)-2-(tert-butylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 25315033
N-[2-(tert-butylamino)-1-(2-iodo-4,5-dimethoxyphenyl)-2-oxoethyl]-N-prop-2-enylbenzamide
CID 135067978
N-benzhydryl-N-methylfuran-2-carboxamide
CID 2510238
N-benzyl-N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 4603905
N-[2-[[(1R)-2-(tert-butylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]-[(4-chlorophenyl)methyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 25315036
N-[(1S)-2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide
CID 46897843
N-(4-butan-2-ylphenyl)-N-[(1R)-2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide
CID 46897842
N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-pyridin-3-ylphenyl)furan-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 53308715

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-prop-2-enylfuran-2-carboxamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-prop-2-enylfuran-2-carboxamide (CID 3432317) is N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-prop-2-enylfuran-2-carboxamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-prop-2-enylfuran-2-carboxamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-prop-2-enylfuran-2-carboxamide is C=CCN(C(=O)c1ccco1)C(C(=O)NC(C)(C)C)c1ccccc1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-prop-2-enylfuran-2-carboxamide?
The InChIKey is QFRZWVSXSOFCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-5-13-22(19(24)16-12-9-14-25-16)17(15-10-7-6-8-11-15)18(23)21-20(2,3)4/h5-12,14,17H,1,13H2,2-4H3,(H,21,23).
What are the key properties of N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-prop-2-enylfuran-2-carboxamide?
N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-prop-2-enylfuran-2-carboxamide has a molecular weight of 340.42 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-prop-2-enylfuran-2-carboxamide is sourced from PubChem (CID 3432317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).