N-[(1S)-1-[(3R)-oxolan-3-yl]propyl]-5-phenoxyfuran-2-carboxamide

C18H21NO4 — CID 97220838

IUPACN-[(1S)-1-[(3R)-oxolan-3-yl]propyl]-5-phenoxyfuran-2-carboxamide
SMILESCC[C@H](NC(=O)c1ccc(Oc2ccccc2)o1)[C@H]1CCOC1
InChIInChI=1S/C18H21NO4/c1-2-15(13-10-11-21-12-13)19-18(20)16-8-9-17(23-16)22-14-6-4-3-5-7-14/h3-9,13,15H,2,10-12H2,1H3,(H,19,20)/t13-,15-/m0/s1
InChIKeyVZNZXGQBLLTLOS-ZFWWWQNUSA-N
MW315.37 g/mol
LogP3.62
Rot. Bonds6

About N-[(1S)-1-[(3R)-oxolan-3-yl]propyl]-5-phenoxyfuran-2-carboxamide

N-[(1S)-1-[(3R)-oxolan-3-yl]propyl]-5-phenoxyfuran-2-carboxamide (PubChem CID 97220838) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[(1S)-1-[(3R)-oxolan-3-yl]propyl]-5-phenoxyfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-[(3R)-oxolan-3-yl]propyl]-5-phenoxyfuran-2-carboxamide
PubChem CID97220838
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC NameN-[(1S)-1-[(3R)-oxolan-3-yl]propyl]-5-phenoxyfuran-2-carboxamide
SMILESCC[C@H](NC(=O)c1ccc(Oc2ccccc2)o1)[C@H]1CCOC1
InChIInChI=1S/C18H21NO4/c1-2-15(13-10-11-21-12-13)19-18(20)16-8-9-17(23-16)22-14-6-4-3-5-7-14/h3-9,13,15H,2,10-12H2,1H3,(H,19,20)/t13-,15-/m0/s1
InChIKeyVZNZXGQBLLTLOS-ZFWWWQNUSA-N
XLogP3.62
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(oxolan-3-yl)propyl]aniline
CID 115729358
1-methyl-3-[1-(oxolan-3-yl)propyl]urea
CID 131131539
phenyl N-[1-(oxan-4-yl)ethyl]carbamate
CID 103771775
N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-5-phenoxyfuran-2-carboxamide
CID 91775069
N-[1-(3-hydroxycyclobutyl)propyl]-5-(4-methoxyphenyl)furan-2-carboxamide
CID 91779351
[2-(methylaminomethyl)pyrrolidin-1-yl]-(5-phenoxyfuran-2-yl)methanone;hydrochloride
CID 119650374
1-(oxolan-3-yl)-3-phenoxypropan-1-ol
CID 63565308
benzyl N-[2-hydroxy-1-(oxan-3-yl)ethyl]carbamate
CID 131112682
N-methyl-1-(oxolan-3-yl)-2-(2-phenoxyethoxy)ethanamine
CID 104748707
2-(oxolan-3-yl)-2-(phenylmethoxycarbonylamino)acetic acid
CID 22309313
tert-butyl N-[[2-[1-(oxolan-3-yl)propylamino]phenyl]methyl]carbamate
CID 114266808
4-[1-(oxolan-3-yl)ethylcarbamoyl]benzoic acid
CID 113263166

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[(3R)-oxolan-3-yl]propyl]-5-phenoxyfuran-2-carboxamide?
The IUPAC name of N-[(1S)-1-[(3R)-oxolan-3-yl]propyl]-5-phenoxyfuran-2-carboxamide (CID 97220838) is N-[(1S)-1-[(3R)-oxolan-3-yl]propyl]-5-phenoxyfuran-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-[(3R)-oxolan-3-yl]propyl]-5-phenoxyfuran-2-carboxamide?
The canonical SMILES for N-[(1S)-1-[(3R)-oxolan-3-yl]propyl]-5-phenoxyfuran-2-carboxamide is CC[C@H](NC(=O)c1ccc(Oc2ccccc2)o1)[C@H]1CCOC1.
What is the InChIKey of N-[(1S)-1-[(3R)-oxolan-3-yl]propyl]-5-phenoxyfuran-2-carboxamide?
The InChIKey is VZNZXGQBLLTLOS-ZFWWWQNUSA-N. The full InChI is InChI=1S/C18H21NO4/c1-2-15(13-10-11-21-12-13)19-18(20)16-8-9-17(23-16)22-14-6-4-3-5-7-14/h3-9,13,15H,2,10-12H2,1H3,(H,19,20)/t13-,15-/m0/s1.
What are the key properties of N-[(1S)-1-[(3R)-oxolan-3-yl]propyl]-5-phenoxyfuran-2-carboxamide?
N-[(1S)-1-[(3R)-oxolan-3-yl]propyl]-5-phenoxyfuran-2-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[(3R)-oxolan-3-yl]propyl]-5-phenoxyfuran-2-carboxamide is sourced from PubChem (CID 97220838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).