N-[1-(3-acetamidophenyl)ethyl]oxolane-2-carboxamide

C15H20N2O3 — CID 46580355

IUPACN-[1-(3-acetamidophenyl)ethyl]oxolane-2-carboxamide
SMILESCC(=O)Nc1cccc(C(C)NC(=O)C2CCCO2)c1
InChIInChI=1S/C15H20N2O3/c1-10(16-15(19)14-7-4-8-20-14)12-5-3-6-13(9-12)17-11(2)18/h3,5-6,9-10,14H,4,7-8H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyISRMWPBFQJTCIT-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.00
Rot. Bonds4

About N-[1-(3-acetamidophenyl)ethyl]oxolane-2-carboxamide

N-[1-(3-acetamidophenyl)ethyl]oxolane-2-carboxamide (PubChem CID 46580355) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[1-(3-acetamidophenyl)ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-acetamidophenyl)ethyl]oxolane-2-carboxamide
PubChem CID46580355
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-[1-(3-acetamidophenyl)ethyl]oxolane-2-carboxamide
SMILESCC(=O)Nc1cccc(C(C)NC(=O)C2CCCO2)c1
InChIInChI=1S/C15H20N2O3/c1-10(16-15(19)14-7-4-8-20-14)12-5-3-6-13(9-12)17-11(2)18/h3,5-6,9-10,14H,4,7-8H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyISRMWPBFQJTCIT-UHFFFAOYSA-N
XLogP2.00
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(1S)-1-phenylethyl]oxolane-2-carboxamide
CID 896917
N-[1-(3-acetamidophenyl)ethyl]cyclohexanecarboxamide
CID 46580283
N-[1-(3,4-dichlorophenyl)ethyl]oxolane-2-carboxamide
CID 47004753
(2R)-N-[(1S)-1-(3-acetamidophenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 37462398
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
(2R)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxolane-2-carboxamide
CID 35367348
N-[3-[1-[1-(oxolan-2-yl)propylamino]ethyl]phenyl]acetamide
CID 75483028
(2S)-N-[(1R)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]oxolane-2-carboxamide
CID 95242893
N-[2-(3-acetamidoanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 112999667
N-[1-(3-acetamidophenyl)ethyl]piperidine-3-carboxamide
CID 60981088
N-[1-[4-(aminomethyl)phenyl]ethyl]oxolane-2-carboxamide
CID 54936119
(2R)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]oxolane-2-carboxamide
CID 38920001

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-acetamidophenyl)ethyl]oxolane-2-carboxamide?
The IUPAC name of N-[1-(3-acetamidophenyl)ethyl]oxolane-2-carboxamide (CID 46580355) is N-[1-(3-acetamidophenyl)ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[1-(3-acetamidophenyl)ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[1-(3-acetamidophenyl)ethyl]oxolane-2-carboxamide is CC(=O)Nc1cccc(C(C)NC(=O)C2CCCO2)c1.
What is the InChIKey of N-[1-(3-acetamidophenyl)ethyl]oxolane-2-carboxamide?
The InChIKey is ISRMWPBFQJTCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10(16-15(19)14-7-4-8-20-14)12-5-3-6-13(9-12)17-11(2)18/h3,5-6,9-10,14H,4,7-8H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of N-[1-(3-acetamidophenyl)ethyl]oxolane-2-carboxamide?
N-[1-(3-acetamidophenyl)ethyl]oxolane-2-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-acetamidophenyl)ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 46580355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).