(2S)-N-(3-cyclopentyloxyphenyl)oxolane-2-carboxamide

C16H21NO3 — CID 38405594

IUPAC(2S)-N-(3-cyclopentyloxyphenyl)oxolane-2-carboxamide
SMILESO=C(Nc1cccc(OC2CCCC2)c1)[C@@H]1CCCO1
InChIInChI=1S/C16H21NO3/c18-16(15-9-4-10-19-15)17-12-5-3-8-14(11-12)20-13-6-1-2-7-13/h3,5,8,11,13,15H,1-2,4,6-7,9-10H2,(H,17,18)/t15-/m0/s1
InChIKeyYHBNFKNWSHNSNB-HNNXBMFYSA-N
MW275.35 g/mol
LogP3.13
Rot. Bonds4

About (2S)-N-(3-cyclopentyloxyphenyl)oxolane-2-carboxamide

(2S)-N-(3-cyclopentyloxyphenyl)oxolane-2-carboxamide (PubChem CID 38405594) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is (2S)-N-(3-cyclopentyloxyphenyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-cyclopentyloxyphenyl)oxolane-2-carboxamide
PubChem CID38405594
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name(2S)-N-(3-cyclopentyloxyphenyl)oxolane-2-carboxamide
SMILESO=C(Nc1cccc(OC2CCCC2)c1)[C@@H]1CCCO1
InChIInChI=1S/C16H21NO3/c18-16(15-9-4-10-19-15)17-12-5-3-8-14(11-12)20-13-6-1-2-7-13/h3,5,8,11,13,15H,1-2,4,6-7,9-10H2,(H,17,18)/t15-/m0/s1
InChIKeyYHBNFKNWSHNSNB-HNNXBMFYSA-N
XLogP3.13
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(3-methoxyphenyl)oxolane-2-carboxamide
CID 898392
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
cyclooctyl 3-[[(2S)-oxolane-2-carbonyl]amino]benzoate
CID 97011530
2-[3-[[(2R)-oxolane-2-carbonyl]amino]phenoxy]acetate
CID 7126486
(2R)-N-[3-(cyclopropanecarbonylamino)phenyl]oxolane-2-carboxamide
CID 38324677
4-[3-(oxolane-2-carbonylamino)phenoxy]phthalic acid
CID 17361884
N-(3-cyclopentyloxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 42949307
N-(3-iodophenyl)oxolane-2-carboxamide
CID 42904469
3-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 839554
N-phenyloxolane-2-carboxamide
CID 3453643
(2R)-N-[3-[[3-(trifluoromethoxy)phenyl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 32979083
N-(3-pyrrolidin-1-ylphenyl)oxolane-2-carboxamide
CID 47255294

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-cyclopentyloxyphenyl)oxolane-2-carboxamide?
The IUPAC name of (2S)-N-(3-cyclopentyloxyphenyl)oxolane-2-carboxamide (CID 38405594) is (2S)-N-(3-cyclopentyloxyphenyl)oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-(3-cyclopentyloxyphenyl)oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-(3-cyclopentyloxyphenyl)oxolane-2-carboxamide is O=C(Nc1cccc(OC2CCCC2)c1)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-(3-cyclopentyloxyphenyl)oxolane-2-carboxamide?
The InChIKey is YHBNFKNWSHNSNB-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H21NO3/c18-16(15-9-4-10-19-15)17-12-5-3-8-14(11-12)20-13-6-1-2-7-13/h3,5,8,11,13,15H,1-2,4,6-7,9-10H2,(H,17,18)/t15-/m0/s1.
What are the key properties of (2S)-N-(3-cyclopentyloxyphenyl)oxolane-2-carboxamide?
(2S)-N-(3-cyclopentyloxyphenyl)oxolane-2-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-cyclopentyloxyphenyl)oxolane-2-carboxamide is sourced from PubChem (CID 38405594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).