N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]oxolane-2-carboxamide

C16H20N2O3 — CID 131950649

IUPACN-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]oxolane-2-carboxamide
SMILESO=C(Cc1ccc(NC(=O)C2CCCO2)cc1)NC1CC1
InChIInChI=1S/C16H20N2O3/c19-15(17-12-7-8-12)10-11-3-5-13(6-4-11)18-16(20)14-2-1-9-21-14/h3-6,12,14H,1-2,7-10H2,(H,17,19)(H,18,20)
InChIKeyRVIZAAIWCURIBY-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.63
Rot. Bonds5

About N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]oxolane-2-carboxamide

N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]oxolane-2-carboxamide (PubChem CID 131950649) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]oxolane-2-carboxamide
PubChem CID131950649
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]oxolane-2-carboxamide
SMILESO=C(Cc1ccc(NC(=O)C2CCCO2)cc1)NC1CC1
InChIInChI=1S/C16H20N2O3/c19-15(17-12-7-8-12)10-11-3-5-13(6-4-11)18-16(20)14-2-1-9-21-14/h3-6,12,14H,1-2,7-10H2,(H,17,19)(H,18,20)
InChIKeyRVIZAAIWCURIBY-UHFFFAOYSA-N
XLogP1.63
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(bromomethyl)phenyl]oxolane-2-carboxamide
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CID 110353088
N-[4-(2-amino-2-sulfanylideneethyl)phenyl]oxane-2-carboxamide
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N-[4-(aminomethyl)phenyl]oxane-2-carboxamide
CID 62214191
N-[4-(2-hydroxyethyl)phenyl]oxane-2-carboxamide
CID 62212827
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CID 119711447
N-phenyloxolane-2-carboxamide
CID 3453643
N-[4-(4-aminobutyl)phenyl]oxolane-2-carboxamide
CID 82260089
N-(4-benzoylphenyl)oxolane-2-carboxamide
CID 11839657
3-[4-(oxane-2-carbonylamino)phenyl]propanoic acid
CID 115339436
N-[4-(piperidin-4-ylmethyl)phenyl]oxolane-2-carboxamide
CID 82260254
N-[4-(ethylaminomethyl)phenyl]oxane-2-carboxamide
CID 106910070

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]oxolane-2-carboxamide (CID 131950649) is N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]oxolane-2-carboxamide is O=C(Cc1ccc(NC(=O)C2CCCO2)cc1)NC1CC1.
What is the InChIKey of N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]oxolane-2-carboxamide?
The InChIKey is RVIZAAIWCURIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c19-15(17-12-7-8-12)10-11-3-5-13(6-4-11)18-16(20)14-2-1-9-21-14/h3-6,12,14H,1-2,7-10H2,(H,17,19)(H,18,20).
What are the key properties of N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]oxolane-2-carboxamide?
N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]oxolane-2-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 131950649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).