(2S,5R)-5-(aminomethyl)-N-[2-(3-fluorophenyl)ethyl]-N-propyloxolane-2-carboxamide

C17H25FN2O2 — CID 120793404

IUPAC(2S,5R)-5-(aminomethyl)-N-[2-(3-fluorophenyl)ethyl]-N-propyloxolane-2-carboxamide
SMILESCCCN(CCc1cccc(F)c1)C(=O)[C@@H]1CC[C@H](CN)O1
InChIInChI=1S/C17H25FN2O2/c1-2-9-20(10-8-13-4-3-5-14(18)11-13)17(21)16-7-6-15(12-19)22-16/h3-5,11,15-16H,2,6-10,12,19H2,1H3/t15-,16+/m1/s1
InChIKeyRWVLUTJFXQCZGG-CVEARBPZSA-N
MW308.40 g/mol
LogP2.11
Rot. Bonds7

About (2S,5R)-5-(aminomethyl)-N-[2-(3-fluorophenyl)ethyl]-N-propyloxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-[2-(3-fluorophenyl)ethyl]-N-propyloxolane-2-carboxamide (PubChem CID 120793404) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[2-(3-fluorophenyl)ethyl]-N-propyloxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[2-(3-fluorophenyl)ethyl]-N-propyloxolane-2-carboxamide
PubChem CID120793404
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[2-(3-fluorophenyl)ethyl]-N-propyloxolane-2-carboxamide
SMILESCCCN(CCc1cccc(F)c1)C(=O)[C@@H]1CC[C@H](CN)O1
InChIInChI=1S/C17H25FN2O2/c1-2-9-20(10-8-13-4-3-5-14(18)11-13)17(21)16-7-6-15(12-19)22-16/h3-5,11,15-16H,2,6-10,12,19H2,1H3/t15-,16+/m1/s1
InChIKeyRWVLUTJFXQCZGG-CVEARBPZSA-N
XLogP2.11
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(oxolan-2-ylmethyl)-2-phenylacetamide
CID 531986
N-(1-phenylpropyl)oxolane-2-carboxamide
CID 6467126
2-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 3148058
3-phenyl-N-(tetrahydro-2-furanylmethyl)butanamide
CID 2914304
5-[[4-[(4-Fluorophenyl)-phenylmethylidene]piperidin-1-yl]methyl]oxolane-2-carboxamide
CID 9952528
N-[2-(4-fluorophenyl)ethyl]oxolane-2-carboxamide
CID 2947967
N-[1-(4-ethylphenyl)ethyl]tetrahydro-2-furancarboxamide
CID 6464227
2-(2-Methylphenyl)-1-[4-(oxolan-2-ylcarbonyl)piperazinyl]ethan-1-one
CID 6465369
2-(4-Methylphenyl)-1-[4-(oxolan-2-ylcarbonyl)piperazinyl]ethan-1-one
CID 6471054
N-(3-phenylpropyl)oxolane-2-carboxamide
CID 4108536
N-(1-phenylethyl)tetrahydro-2-furancarboxamide
CID 2931490
Propanamide, N-tetrahydrofurfuryl-3-phenyl-
CID 532826

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[2-(3-fluorophenyl)ethyl]-N-propyloxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[2-(3-fluorophenyl)ethyl]-N-propyloxolane-2-carboxamide (CID 120793404) is (2S,5R)-5-(aminomethyl)-N-[2-(3-fluorophenyl)ethyl]-N-propyloxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[2-(3-fluorophenyl)ethyl]-N-propyloxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[2-(3-fluorophenyl)ethyl]-N-propyloxolane-2-carboxamide is CCCN(CCc1cccc(F)c1)C(=O)[C@@H]1CC[C@H](CN)O1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[2-(3-fluorophenyl)ethyl]-N-propyloxolane-2-carboxamide?
The InChIKey is RWVLUTJFXQCZGG-CVEARBPZSA-N. The full InChI is InChI=1S/C17H25FN2O2/c1-2-9-20(10-8-13-4-3-5-14(18)11-13)17(21)16-7-6-15(12-19)22-16/h3-5,11,15-16H,2,6-10,12,19H2,1H3/t15-,16+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[2-(3-fluorophenyl)ethyl]-N-propyloxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-[2-(3-fluorophenyl)ethyl]-N-propyloxolane-2-carboxamide has a molecular weight of 308.40 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-[2-(3-fluorophenyl)ethyl]-N-propyloxolane-2-carboxamide is sourced from PubChem (CID 120793404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).