2-amino-N-[(3-fluorophenyl)methyl]-3-methoxy-N-(oxolan-2-ylmethyl)propanamide

C16H23FN2O3 — CID 120993536

IUPAC2-amino-N-[(3-fluorophenyl)methyl]-3-methoxy-N-(oxolan-2-ylmethyl)propanamide
SMILESCOCC(N)C(=O)N(Cc1cccc(F)c1)CC1CCCO1
InChIInChI=1S/C16H23FN2O3/c1-21-11-15(18)16(20)19(10-14-6-3-7-22-14)9-12-4-2-5-13(17)8-12/h2,4-5,8,14-15H,3,6-7,9-11,18H2,1H3
InChIKeyJPODMFDLJDJNQA-UHFFFAOYSA-N
MW310.37 g/mol
LogP1.31
Rot. Bonds7

About 2-amino-N-[(3-fluorophenyl)methyl]-3-methoxy-N-(oxolan-2-ylmethyl)propanamide

2-amino-N-[(3-fluorophenyl)methyl]-3-methoxy-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 120993536) has the molecular formula C16H23FN2O3 and a molecular weight of 310.37 g/mol. Its IUPAC name is 2-amino-N-[(3-fluorophenyl)methyl]-3-methoxy-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-amino-N-[(3-fluorophenyl)methyl]-3-methoxy-N-(oxolan-2-ylmethyl)propanamide
PubChem CID120993536
Molecular FormulaC16H23FN2O3
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC Name2-amino-N-[(3-fluorophenyl)methyl]-3-methoxy-N-(oxolan-2-ylmethyl)propanamide
SMILESCOCC(N)C(=O)N(Cc1cccc(F)c1)CC1CCCO1
InChIInChI=1S/C16H23FN2O3/c1-21-11-15(18)16(20)19(10-14-6-3-7-22-14)9-12-4-2-5-13(17)8-12/h2,4-5,8,14-15H,3,6-7,9-11,18H2,1H3
InChIKeyJPODMFDLJDJNQA-UHFFFAOYSA-N
XLogP1.31
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-fluorophenyl)methyl]-3-methoxy-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 2-amino-N-[(3-fluorophenyl)methyl]-3-methoxy-N-(oxolan-2-ylmethyl)propanamide (CID 120993536) is 2-amino-N-[(3-fluorophenyl)methyl]-3-methoxy-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 2-amino-N-[(3-fluorophenyl)methyl]-3-methoxy-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 2-amino-N-[(3-fluorophenyl)methyl]-3-methoxy-N-(oxolan-2-ylmethyl)propanamide is COCC(N)C(=O)N(Cc1cccc(F)c1)CC1CCCO1.
What is the InChIKey of 2-amino-N-[(3-fluorophenyl)methyl]-3-methoxy-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is JPODMFDLJDJNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3/c1-21-11-15(18)16(20)19(10-14-6-3-7-22-14)9-12-4-2-5-13(17)8-12/h2,4-5,8,14-15H,3,6-7,9-11,18H2,1H3.
What are the key properties of 2-amino-N-[(3-fluorophenyl)methyl]-3-methoxy-N-(oxolan-2-ylmethyl)propanamide?
2-amino-N-[(3-fluorophenyl)methyl]-3-methoxy-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 310.37 g/mol, XLogP of 1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-fluorophenyl)methyl]-3-methoxy-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 120993536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).