N-tert-butyl-5-[3-[(1S)-1-methoxyethyl]phenyl]furan-2-carboxamide

C18H23NO3 — CID 126433393

IUPACN-tert-butyl-5-[3-[(1S)-1-methoxyethyl]phenyl]furan-2-carboxamide
SMILESCO[C@@H](C)c1cccc(-c2ccc(C(=O)NC(C)(C)C)o2)c1
InChIInChI=1S/C18H23NO3/c1-12(21-5)13-7-6-8-14(11-13)15-9-10-16(22-15)17(20)19-18(2,3)4/h6-12H,1-5H3,(H,19,20)/t12-/m0/s1
InChIKeyWGAHHSZPBYZZKJ-LBPRGKRZSA-N
MW301.39 g/mol
LogP4.18
Rot. Bonds4

About N-tert-butyl-5-[3-[(1S)-1-methoxyethyl]phenyl]furan-2-carboxamide

N-tert-butyl-5-[3-[(1S)-1-methoxyethyl]phenyl]furan-2-carboxamide (PubChem CID 126433393) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-tert-butyl-5-[3-[(1S)-1-methoxyethyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-[3-[(1S)-1-methoxyethyl]phenyl]furan-2-carboxamide
PubChem CID126433393
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC NameN-tert-butyl-5-[3-[(1S)-1-methoxyethyl]phenyl]furan-2-carboxamide
SMILESCO[C@@H](C)c1cccc(-c2ccc(C(=O)NC(C)(C)C)o2)c1
InChIInChI=1S/C18H23NO3/c1-12(21-5)13-7-6-8-14(11-13)15-9-10-16(22-15)17(20)19-18(2,3)4/h6-12H,1-5H3,(H,19,20)/t12-/m0/s1
InChIKeyWGAHHSZPBYZZKJ-LBPRGKRZSA-N
XLogP4.18
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[3-[(1R)-1-methoxyethyl]phenyl]furan-2-carboxamide
CID 126453687
4-methoxy-3-methyl-3-[[5-(3-propan-2-ylphenyl)furan-2-carbonyl]amino]butanoic acid
CID 120532205
5-(4-bromophenyl)-N-tert-butylfuran-2-carboxamide
CID 1370910
5-(3-methylphenyl)-N-propan-2-ylfuran-2-carboxamide
CID 151471229
N-tert-butyl-5-(2-fluoro-6-methoxyphenyl)furan-2-carboxamide
CID 56707703
N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-5-(3-methoxyphenyl)furan-2-carboxamide
CID 134710433
N-(1-hydroxy-2-methylpropan-2-yl)-5-phenylfuran-2-carboxamide
CID 82121169
N-[1-(3-sulfamoylphenyl)ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 55396044
N-[1-(4-methylphenyl)ethyl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 5262323
5-(3-methylphenyl)furan-2-carboxylate
CID 6957364
N-[2-(tert-butylcarbamoyl)-3-chloro-1-benzothiophen-7-yl]-5-(3,4-dichlorophenyl)furan-2-carboxamide
CID 17274417
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate
CID 7755156

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-[3-[(1S)-1-methoxyethyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-tert-butyl-5-[3-[(1S)-1-methoxyethyl]phenyl]furan-2-carboxamide (CID 126433393) is N-tert-butyl-5-[3-[(1S)-1-methoxyethyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-tert-butyl-5-[3-[(1S)-1-methoxyethyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-tert-butyl-5-[3-[(1S)-1-methoxyethyl]phenyl]furan-2-carboxamide is CO[C@@H](C)c1cccc(-c2ccc(C(=O)NC(C)(C)C)o2)c1.
What is the InChIKey of N-tert-butyl-5-[3-[(1S)-1-methoxyethyl]phenyl]furan-2-carboxamide?
The InChIKey is WGAHHSZPBYZZKJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H23NO3/c1-12(21-5)13-7-6-8-14(11-13)15-9-10-16(22-15)17(20)19-18(2,3)4/h6-12H,1-5H3,(H,19,20)/t12-/m0/s1.
What are the key properties of N-tert-butyl-5-[3-[(1S)-1-methoxyethyl]phenyl]furan-2-carboxamide?
N-tert-butyl-5-[3-[(1S)-1-methoxyethyl]phenyl]furan-2-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-[3-[(1S)-1-methoxyethyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 126433393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).