N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrrolidine-1-carboxamide

C17H24N2O3 — CID 91830789

IUPACN-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrrolidine-1-carboxamide
SMILESO=C(N[C@@H]1COCC[C@@H]1OCc1ccccc1)N1CCCC1
InChIInChI=1S/C17H24N2O3/c20-17(19-9-4-5-10-19)18-15-13-21-11-8-16(15)22-12-14-6-2-1-3-7-14/h1-3,6-7,15-16H,4-5,8-13H2,(H,18,20)/t15-,16+/m1/s1
InChIKeyXTYXTNCIIWNFKW-CVEARBPZSA-N
MW304.39 g/mol
LogP2.17
Rot. Bonds4

About N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrrolidine-1-carboxamide

N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrrolidine-1-carboxamide (PubChem CID 91830789) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrrolidine-1-carboxamide
PubChem CID91830789
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrrolidine-1-carboxamide
SMILESO=C(N[C@@H]1COCC[C@@H]1OCc1ccccc1)N1CCCC1
InChIInChI=1S/C17H24N2O3/c20-17(19-9-4-5-10-19)18-15-13-21-11-8-16(15)22-12-14-6-2-1-3-7-14/h1-3,6-7,15-16H,4-5,8-13H2,(H,18,20)/t15-,16+/m1/s1
InChIKeyXTYXTNCIIWNFKW-CVEARBPZSA-N
XLogP2.17
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]piperazine-1-carboxamide
CID 91785748
N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-2-(1,2,4-triazol-4-yl)acetamide
CID 91765784
N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1,2-oxazole-3-carboxamide
CID 91797210
4-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]benzene-1,4-dicarboxamide
CID 91781998
2-(3-fluorophenyl)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]acetamide
CID 91785233
N-[(3S,3aR,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]morpholine-4-carboxamide
CID 11886493
2-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrazole-3-carboxamide
CID 91777487
1,3-dimethyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrazole-4-carboxamide
CID 91776232
N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-2-piperidin-1-ylacetamide
CID 91786681
N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1H-pyrazole-5-carboxamide
CID 91780512
2-[methyl(propan-2-yl)amino]-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]acetamide
CID 91760455
N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-3-piperidin-1-ylpropanamide
CID 91766954

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrrolidine-1-carboxamide (CID 91830789) is N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrrolidine-1-carboxamide is O=C(N[C@@H]1COCC[C@@H]1OCc1ccccc1)N1CCCC1.
What is the InChIKey of N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrrolidine-1-carboxamide?
The InChIKey is XTYXTNCIIWNFKW-CVEARBPZSA-N. The full InChI is InChI=1S/C17H24N2O3/c20-17(19-9-4-5-10-19)18-15-13-21-11-8-16(15)22-12-14-6-2-1-3-7-14/h1-3,6-7,15-16H,4-5,8-13H2,(H,18,20)/t15-,16+/m1/s1.
What are the key properties of N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrrolidine-1-carboxamide?
N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrrolidine-1-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 91830789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).