N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-phenylpropanamide

C20H23NO3 — CID 40638862

IUPACN-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccc(OC[C@@H]2CCCO2)cc1
InChIInChI=1S/C20H23NO3/c22-20(13-8-16-5-2-1-3-6-16)21-17-9-11-18(12-10-17)24-15-19-7-4-14-23-19/h1-3,5-6,9-12,19H,4,7-8,13-15H2,(H,21,22)/t19-/m0/s1
InChIKeyLETZSYXHKCSSIA-IBGZPJMESA-N
MW325.41 g/mol
LogP3.82
Rot. Bonds7

About N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-phenylpropanamide

N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-phenylpropanamide (PubChem CID 40638862) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-phenylpropanamide
PubChem CID40638862
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC NameN-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccc(OC[C@@H]2CCCO2)cc1
InChIInChI=1S/C20H23NO3/c22-20(13-8-16-5-2-1-3-6-16)21-17-9-11-18(12-10-17)24-15-19-7-4-14-23-19/h1-3,5-6,9-12,19H,4,7-8,13-15H2,(H,21,22)/t19-/m0/s1
InChIKeyLETZSYXHKCSSIA-IBGZPJMESA-N
XLogP3.82
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(oxolan-2-ylmethoxy)-N-[4-(3-phenylpropanoylamino)phenyl]benzamide
CID 17233663
N-[4-(oxolan-2-ylmethoxy)phenyl]-2-phenoxyacetamide
CID 4957890
N-[4-(oxolan-2-ylmethoxy)phenyl]-4-(2-phenylethoxy)benzamide
CID 4957999
4-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 119283533
1,3-bis[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 41436663
3-acetamido-N-[4-(oxolan-2-ylmethoxy)phenyl]propanamide
CID 131890314
4-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]pentanamide
CID 120559985
2-methoxyethyl 4-oxo-4-[4-(oxolan-2-ylmethoxy)anilino]butanoate
CID 17339145
3-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]-3-phenylpropanamide
CID 119949559
N-[1-[4-(oxolan-2-ylmethoxy)benzoyl]piperidin-4-yl]-3-phenylpropanamide
CID 46455343
2-[[4-(oxolan-2-ylmethoxy)phenyl]carbamoyl]benzoic acid
CID 4957872
N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-4-phenylbenzamide
CID 9294955

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-phenylpropanamide?
The IUPAC name of N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-phenylpropanamide (CID 40638862) is N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-phenylpropanamide.
What is the SMILES notation for N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-phenylpropanamide?
The canonical SMILES for N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1ccc(OC[C@@H]2CCCO2)cc1.
What is the InChIKey of N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-phenylpropanamide?
The InChIKey is LETZSYXHKCSSIA-IBGZPJMESA-N. The full InChI is InChI=1S/C20H23NO3/c22-20(13-8-16-5-2-1-3-6-16)21-17-9-11-18(12-10-17)24-15-19-7-4-14-23-19/h1-3,5-6,9-12,19H,4,7-8,13-15H2,(H,21,22)/t19-/m0/s1.
What are the key properties of N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-phenylpropanamide?
N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-phenylpropanamide has a molecular weight of 325.41 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-phenylpropanamide is sourced from PubChem (CID 40638862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).