N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]oxolane-3-carboxamide

C14H17BrN2O3 — CID 47447783

IUPACN-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]oxolane-3-carboxamide
SMILESNC(=O)CN(Cc1ccc(Br)cc1)C(=O)C1CCOC1
InChIInChI=1S/C14H17BrN2O3/c15-12-3-1-10(2-4-12)7-17(8-13(16)18)14(19)11-5-6-20-9-11/h1-4,11H,5-9H2,(H2,16,18)
InChIKeyLMSUVNNVFINHCL-UHFFFAOYSA-N
MW341.20 g/mol
LogP1.30
Rot. Bonds5

About N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]oxolane-3-carboxamide

N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]oxolane-3-carboxamide (PubChem CID 47447783) has the molecular formula C14H17BrN2O3 and a molecular weight of 341.20 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]oxolane-3-carboxamide
PubChem CID47447783
Molecular FormulaC14H17BrN2O3
Molecular Weight341.20 g/mol
Exact Mass340.04
IUPAC NameN-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]oxolane-3-carboxamide
SMILESNC(=O)CN(Cc1ccc(Br)cc1)C(=O)C1CCOC1
InChIInChI=1S/C14H17BrN2O3/c15-12-3-1-10(2-4-12)7-17(8-13(16)18)14(19)11-5-6-20-9-11/h1-4,11H,5-9H2,(H2,16,18)
InChIKeyLMSUVNNVFINHCL-UHFFFAOYSA-N
XLogP1.30
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.20
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]oxolane-3-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]oxolane-3-carboxamide (CID 47447783) is N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]oxolane-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]oxolane-3-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]oxolane-3-carboxamide is NC(=O)CN(Cc1ccc(Br)cc1)C(=O)C1CCOC1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]oxolane-3-carboxamide?
The InChIKey is LMSUVNNVFINHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O3/c15-12-3-1-10(2-4-12)7-17(8-13(16)18)14(19)11-5-6-20-9-11/h1-4,11H,5-9H2,(H2,16,18).
What are the key properties of N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]oxolane-3-carboxamide?
N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]oxolane-3-carboxamide has a molecular weight of 341.20 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]oxolane-3-carboxamide is sourced from PubChem (CID 47447783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).