N-[(1S)-2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-cyclopropylfuran-2-carboxamide

C20H24N2O3 — CID 7224488

IUPACN-[(1S)-2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-cyclopropylfuran-2-carboxamide
SMILESCC(C)(C)NC(=O)[C@H](c1ccccc1)N(C(=O)c1ccco1)C1CC1
InChIInChI=1S/C20H24N2O3/c1-20(2,3)21-18(23)17(14-8-5-4-6-9-14)22(15-11-12-15)19(24)16-10-7-13-25-16/h4-10,13,15,17H,11-12H2,1-3H3,(H,21,23)/t17-/m0/s1
InChIKeyMDQOTLPXVIOTNE-KRWDZBQOSA-N
MW340.42 g/mol
LogP3.54
Rot. Bonds5

About N-[(1S)-2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-cyclopropylfuran-2-carboxamide

N-[(1S)-2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-cyclopropylfuran-2-carboxamide (PubChem CID 7224488) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[(1S)-2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-cyclopropylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-cyclopropylfuran-2-carboxamide
PubChem CID7224488
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-[(1S)-2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-cyclopropylfuran-2-carboxamide
SMILESCC(C)(C)NC(=O)[C@H](c1ccccc1)N(C(=O)c1ccco1)C1CC1
InChIInChI=1S/C20H24N2O3/c1-20(2,3)21-18(23)17(14-8-5-4-6-9-14)22(15-11-12-15)19(24)16-10-7-13-25-16/h4-10,13,15,17H,11-12H2,1-3H3,(H,21,23)/t17-/m0/s1
InChIKeyMDQOTLPXVIOTNE-KRWDZBQOSA-N
XLogP3.54
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-prop-2-enylfuran-2-carboxamide
CID 3432317
N-[(1R)-2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-cyclopropylthiadiazole-4-carboxamide
CID 7404533
N-[(1R)-2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-cyclopropylfuran-2-carboxamide
CID 1441726
N-[2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-N-cyclopropylfuran-2-carboxamide
CID 24792687
N-cyclopentyl-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide
CID 7145221
N-(3-acetylphenyl)-N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]furan-2-carboxamide
CID 3221190
N-[(1S)-2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-cyclopentylfuran-2-carboxamide
CID 7130291
N-cyclopentyl-N-[2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]furan-2-carboxamide
CID 3196954
N-[(1R)-2-(cyclopentylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-cyclopropylfuran-2-carboxamide
CID 7145172
N-cyclohexyl-N-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]furan-2-carboxamide
CID 3196888
N-[(1R)-2-(tert-butylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide
CID 7404559
N-[2-(tert-butylamino)-1-(furan-2-yl)-2-oxoethyl]-N-cyclopentyl-5-oxothiolane-3-carboxamide
CID 3227555

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-cyclopropylfuran-2-carboxamide?
The IUPAC name of N-[(1S)-2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-cyclopropylfuran-2-carboxamide (CID 7224488) is N-[(1S)-2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-cyclopropylfuran-2-carboxamide.
What is the SMILES notation for N-[(1S)-2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-cyclopropylfuran-2-carboxamide?
The canonical SMILES for N-[(1S)-2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-cyclopropylfuran-2-carboxamide is CC(C)(C)NC(=O)[C@H](c1ccccc1)N(C(=O)c1ccco1)C1CC1.
What is the InChIKey of N-[(1S)-2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-cyclopropylfuran-2-carboxamide?
The InChIKey is MDQOTLPXVIOTNE-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-20(2,3)21-18(23)17(14-8-5-4-6-9-14)22(15-11-12-15)19(24)16-10-7-13-25-16/h4-10,13,15,17H,11-12H2,1-3H3,(H,21,23)/t17-/m0/s1.
What are the key properties of N-[(1S)-2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-cyclopropylfuran-2-carboxamide?
N-[(1S)-2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-cyclopropylfuran-2-carboxamide has a molecular weight of 340.42 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-cyclopropylfuran-2-carboxamide is sourced from PubChem (CID 7224488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).