N-[(2S)-1-(furan-3-yl)propan-2-yl]-4-propan-2-yloxybenzamide

C17H21NO3 — CID 99873162

IUPACN-[(2S)-1-(furan-3-yl)propan-2-yl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)N[C@@H](C)Cc2ccoc2)cc1
InChIInChI=1S/C17H21NO3/c1-12(2)21-16-6-4-15(5-7-16)17(19)18-13(3)10-14-8-9-20-11-14/h4-9,11-13H,10H2,1-3H3,(H,18,19)/t13-/m0/s1
InChIKeyUYFSBDWLJDVQAI-ZDUSSCGKSA-N
MW287.36 g/mol
LogP3.43
Rot. Bonds6

About N-[(2S)-1-(furan-3-yl)propan-2-yl]-4-propan-2-yloxybenzamide

N-[(2S)-1-(furan-3-yl)propan-2-yl]-4-propan-2-yloxybenzamide (PubChem CID 99873162) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[(2S)-1-(furan-3-yl)propan-2-yl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[(2S)-1-(furan-3-yl)propan-2-yl]-4-propan-2-yloxybenzamide
PubChem CID99873162
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC NameN-[(2S)-1-(furan-3-yl)propan-2-yl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)N[C@@H](C)Cc2ccoc2)cc1
InChIInChI=1S/C17H21NO3/c1-12(2)21-16-6-4-15(5-7-16)17(19)18-13(3)10-14-8-9-20-11-14/h4-9,11-13H,10H2,1-3H3,(H,18,19)/t13-/m0/s1
InChIKeyUYFSBDWLJDVQAI-ZDUSSCGKSA-N
XLogP3.43
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[1-(furan-3-yl)propan-2-yl]benzamide
CID 121127042
N-[(2S)-1-(furan-3-yl)propan-2-yl]-4-phenylbenzamide
CID 99873173
N-[(2S)-butan-2-yl]-4-propan-2-yloxybenzamide
CID 40772005
3-fluoro-N-[(2S)-1-(furan-3-yl)propan-2-yl]-4-methoxybenzamide
CID 99874043
N-[1-(furan-3-yl)propan-2-yl]-2,4-dimethoxybenzamide
CID 121127019
5-bromo-N-[(2R)-1-(furan-3-yl)propan-2-yl]pyridine-3-carboxamide
CID 97030221
N-[(2S)-4-phenylbutan-2-yl]-4-propan-2-yloxybenzamide
CID 1263174
2-(4-tert-butylphenoxy)-N-[1-(furan-3-yl)propan-2-yl]acetamide
CID 121127052
N-[1-(furan-3-yl)propan-2-yl]-1,2-oxazole-5-carboxamide
CID 121126955
N-[(2S)-1-(furan-3-yl)propan-2-yl]-3-(4-methoxyphenyl)propanamide
CID 97030226
N-[1-(furan-3-yl)propan-2-yl]-2-phenoxyacetamide
CID 121126979
2-(4-chlorophenoxy)-N-[(2R)-1-(furan-3-yl)propan-2-yl]-2-methylpropanamide
CID 97030207

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(furan-3-yl)propan-2-yl]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[(2S)-1-(furan-3-yl)propan-2-yl]-4-propan-2-yloxybenzamide (CID 99873162) is N-[(2S)-1-(furan-3-yl)propan-2-yl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[(2S)-1-(furan-3-yl)propan-2-yl]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[(2S)-1-(furan-3-yl)propan-2-yl]-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)N[C@@H](C)Cc2ccoc2)cc1.
What is the InChIKey of N-[(2S)-1-(furan-3-yl)propan-2-yl]-4-propan-2-yloxybenzamide?
The InChIKey is UYFSBDWLJDVQAI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21NO3/c1-12(2)21-16-6-4-15(5-7-16)17(19)18-13(3)10-14-8-9-20-11-14/h4-9,11-13H,10H2,1-3H3,(H,18,19)/t13-/m0/s1.
What are the key properties of N-[(2S)-1-(furan-3-yl)propan-2-yl]-4-propan-2-yloxybenzamide?
N-[(2S)-1-(furan-3-yl)propan-2-yl]-4-propan-2-yloxybenzamide has a molecular weight of 287.36 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(furan-3-yl)propan-2-yl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 99873162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).