3-[(2S)-oxolan-2-yl]-N-[phenyl(pyridin-4-yl)methyl]propanamide

C19H22N2O2 — CID 166301428

IUPAC3-[(2S)-oxolan-2-yl]-N-[phenyl(pyridin-4-yl)methyl]propanamide
SMILESO=C(CC[C@@H]1CCCO1)NC(c1ccccc1)c1ccncc1
InChIInChI=1S/C19H22N2O2/c22-18(9-8-17-7-4-14-23-17)21-19(15-5-2-1-3-6-15)16-10-12-20-13-11-16/h1-3,5-6,10-13,17,19H,4,7-9,14H2,(H,21,22)/t17-,19?/m0/s1
InChIKeyMRBNZGWIULGCNJ-KKFHFHRHSA-N
MW310.40 g/mol
LogP3.25
Rot. Bonds6

About 3-[(2S)-oxolan-2-yl]-N-[phenyl(pyridin-4-yl)methyl]propanamide

3-[(2S)-oxolan-2-yl]-N-[phenyl(pyridin-4-yl)methyl]propanamide (PubChem CID 166301428) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 3-[(2S)-oxolan-2-yl]-N-[phenyl(pyridin-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-[(2S)-oxolan-2-yl]-N-[phenyl(pyridin-4-yl)methyl]propanamide
PubChem CID166301428
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name3-[(2S)-oxolan-2-yl]-N-[phenyl(pyridin-4-yl)methyl]propanamide
SMILESO=C(CC[C@@H]1CCCO1)NC(c1ccccc1)c1ccncc1
InChIInChI=1S/C19H22N2O2/c22-18(9-8-17-7-4-14-23-17)21-19(15-5-2-1-3-6-15)16-10-12-20-13-11-16/h1-3,5-6,10-13,17,19H,4,7-9,14H2,(H,21,22)/t17-,19?/m0/s1
InChIKeyMRBNZGWIULGCNJ-KKFHFHRHSA-N
XLogP3.25
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(2S)-oxolan-2-yl]methyl]-3-[(S)-phenyl(pyridin-4-yl)methyl]thiourea
CID 9232926
4-[3-(oxan-2-yl)propanoylamino]-4-phenylbutanoic acid
CID 119201385
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-(oxolan-2-yl)propanamide
CID 107861226
N-benzhydryl-3-(oxan-4-yl)propanamide
CID 84577345
3-[(2S)-oxolan-2-yl]-N-[(3R)-3-phenylbutyl]propanamide
CID 94821729
2-naphthalen-2-yl-2-[3-(oxolan-2-yl)propanoylamino]acetic acid
CID 120543472
3-[(2S)-oxolan-2-yl]-N-[1-[(1S)-1-phenylethyl]pyrazol-3-yl]propanamide
CID 97225833
3-[(2S)-oxolan-2-yl]-N-pyridin-2-ylpropanamide
CID 51938440
1-amino-5-(oxolan-2-yl)-2-phenylpentan-3-one
CID 116567022
N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2R)-oxolan-2-yl]propanamide
CID 94092667
1-chloro-4-(oxolan-2-yl)-1-phenylbutan-2-one
CID 81236403
4-amino-N-[phenyl(pyridin-4-yl)methyl]butanamide;dihydrochloride
CID 119854176

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-oxolan-2-yl]-N-[phenyl(pyridin-4-yl)methyl]propanamide?
The IUPAC name of 3-[(2S)-oxolan-2-yl]-N-[phenyl(pyridin-4-yl)methyl]propanamide (CID 166301428) is 3-[(2S)-oxolan-2-yl]-N-[phenyl(pyridin-4-yl)methyl]propanamide.
What is the SMILES notation for 3-[(2S)-oxolan-2-yl]-N-[phenyl(pyridin-4-yl)methyl]propanamide?
The canonical SMILES for 3-[(2S)-oxolan-2-yl]-N-[phenyl(pyridin-4-yl)methyl]propanamide is O=C(CC[C@@H]1CCCO1)NC(c1ccccc1)c1ccncc1.
What is the InChIKey of 3-[(2S)-oxolan-2-yl]-N-[phenyl(pyridin-4-yl)methyl]propanamide?
The InChIKey is MRBNZGWIULGCNJ-KKFHFHRHSA-N. The full InChI is InChI=1S/C19H22N2O2/c22-18(9-8-17-7-4-14-23-17)21-19(15-5-2-1-3-6-15)16-10-12-20-13-11-16/h1-3,5-6,10-13,17,19H,4,7-9,14H2,(H,21,22)/t17-,19?/m0/s1.
What are the key properties of 3-[(2S)-oxolan-2-yl]-N-[phenyl(pyridin-4-yl)methyl]propanamide?
3-[(2S)-oxolan-2-yl]-N-[phenyl(pyridin-4-yl)methyl]propanamide has a molecular weight of 310.40 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-oxolan-2-yl]-N-[phenyl(pyridin-4-yl)methyl]propanamide is sourced from PubChem (CID 166301428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).