(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide

C16H20N2O4 — CID 7027817

IUPAC(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1cccc(NC(=O)[C@@H]2CCCO2)c1)[C@@H]1CCCO1
InChIInChI=1S/C16H20N2O4/c19-15(13-6-2-8-21-13)17-11-4-1-5-12(10-11)18-16(20)14-7-3-9-22-14/h1,4-5,10,13-14H,2-3,6-9H2,(H,17,19)(H,18,20)/t13-,14-/m0/s1
InChIKeySUKHCPQRAXTNAH-KBPBESRZSA-N
MW304.35 g/mol
LogP1.92
Rot. Bonds4

About (2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide

(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide (PubChem CID 7027817) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is (2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
PubChem CID7027817
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1cccc(NC(=O)[C@@H]2CCCO2)c1)[C@@H]1CCCO1
InChIInChI=1S/C16H20N2O4/c19-15(13-6-2-8-21-13)17-11-4-1-5-12(10-11)18-16(20)14-7-3-9-22-14/h1,4-5,10,13-14H,2-3,6-9H2,(H,17,19)(H,18,20)/t13-,14-/m0/s1
InChIKeySUKHCPQRAXTNAH-KBPBESRZSA-N
XLogP1.92
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[3-(cyclopropanecarbonylamino)phenyl]oxolane-2-carboxamide
CID 38324677
N-(3-iodophenyl)oxolane-2-carboxamide
CID 42904469
3-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 839554
N-phenyloxolane-2-carboxamide
CID 3453643
N-[3-[3-(oxolane-2-carbonylamino)phenyl]sulfonylphenyl]oxolane-2-carboxamide
CID 3164147
3-[[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]carbamoyl]benzoic acid
CID 2231825
(2R)-N-(3-methoxyphenyl)oxolane-2-carboxamide
CID 898392
N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]furan-2-carboxamide
CID 860518
(2R)-N-[3-[(2-methoxyacetyl)amino]phenyl]oxolane-2-carboxamide
CID 38396649
N-(3-pyrrolidin-1-ylphenyl)oxolane-2-carboxamide
CID 47255294
(2S)-N-(3-cyclopentyloxyphenyl)oxolane-2-carboxamide
CID 38405594
N-[3-(methylaminomethyl)phenyl]oxolane-2-carboxamide
CID 43601839

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide (CID 7027817) is (2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide is O=C(Nc1cccc(NC(=O)[C@@H]2CCCO2)c1)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide?
The InChIKey is SUKHCPQRAXTNAH-KBPBESRZSA-N. The full InChI is InChI=1S/C16H20N2O4/c19-15(13-6-2-8-21-13)17-11-4-1-5-12(10-11)18-16(20)14-7-3-9-22-14/h1,4-5,10,13-14H,2-3,6-9H2,(H,17,19)(H,18,20)/t13-,14-/m0/s1.
What are the key properties of (2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide?
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 7027817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).