N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-2-phenylbenzamide

C23H27NO3 — CID 91761800

IUPACN-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-2-phenylbenzamide
SMILESO=C(N[C@H]1CCOC[C@H]1C1CCOCC1)c1ccccc1-c1ccccc1
InChIInChI=1S/C23H27NO3/c25-23(20-9-5-4-8-19(20)17-6-2-1-3-7-17)24-22-12-15-27-16-21(22)18-10-13-26-14-11-18/h1-9,18,21-22H,10-16H2,(H,24,25)/t21-,22-/m0/s1
InChIKeyKSNCIGJVNIGXKK-VXKWHMMOSA-N
MW365.47 g/mol
LogP3.92
Rot. Bonds4

About N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-2-phenylbenzamide

N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-2-phenylbenzamide (PubChem CID 91761800) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-2-phenylbenzamide.

Molecular Properties

Compound NameN-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-2-phenylbenzamide
PubChem CID91761800
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC NameN-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-2-phenylbenzamide
SMILESO=C(N[C@H]1CCOC[C@H]1C1CCOCC1)c1ccccc1-c1ccccc1
InChIInChI=1S/C23H27NO3/c25-23(20-9-5-4-8-19(20)17-6-2-1-3-7-17)24-22-12-15-27-16-21(22)18-10-13-26-14-11-18/h1-9,18,21-22H,10-16H2,(H,24,25)/t21-,22-/m0/s1
InChIKeyKSNCIGJVNIGXKK-VXKWHMMOSA-N
XLogP3.92
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-2-phenylbenzamide?
The IUPAC name of N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-2-phenylbenzamide (CID 91761800) is N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-2-phenylbenzamide.
What is the SMILES notation for N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-2-phenylbenzamide?
The canonical SMILES for N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-2-phenylbenzamide is O=C(N[C@H]1CCOC[C@H]1C1CCOCC1)c1ccccc1-c1ccccc1.
What is the InChIKey of N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-2-phenylbenzamide?
The InChIKey is KSNCIGJVNIGXKK-VXKWHMMOSA-N. The full InChI is InChI=1S/C23H27NO3/c25-23(20-9-5-4-8-19(20)17-6-2-1-3-7-17)24-22-12-15-27-16-21(22)18-10-13-26-14-11-18/h1-9,18,21-22H,10-16H2,(H,24,25)/t21-,22-/m0/s1.
What are the key properties of N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-2-phenylbenzamide?
N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-2-phenylbenzamide has a molecular weight of 365.47 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-2-phenylbenzamide is sourced from PubChem (CID 91761800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).