N-[(3S,4R)-3-methoxyoxan-4-yl]-4-(4-propylphenyl)benzamide

C22H27NO3 — CID 91762361

IUPACN-[(3S,4R)-3-methoxyoxan-4-yl]-4-(4-propylphenyl)benzamide
SMILESCCCc1ccc(-c2ccc(C(=O)N[C@@H]3CCOC[C@H]3OC)cc2)cc1
InChIInChI=1S/C22H27NO3/c1-3-4-16-5-7-17(8-6-16)18-9-11-19(12-10-18)22(24)23-20-13-14-26-15-21(20)25-2/h5-12,20-21H,3-4,13-15H2,1-2H3,(H,23,24)/t20-,21-/m1/s1
InChIKeyQRPSLVURFWDFJY-NHCUHLMSSA-N
MW353.46 g/mol
LogP3.84
Rot. Bonds6

About N-[(3S,4R)-3-methoxyoxan-4-yl]-4-(4-propylphenyl)benzamide

N-[(3S,4R)-3-methoxyoxan-4-yl]-4-(4-propylphenyl)benzamide (PubChem CID 91762361) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is N-[(3S,4R)-3-methoxyoxan-4-yl]-4-(4-propylphenyl)benzamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-methoxyoxan-4-yl]-4-(4-propylphenyl)benzamide
PubChem CID91762361
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC NameN-[(3S,4R)-3-methoxyoxan-4-yl]-4-(4-propylphenyl)benzamide
SMILESCCCc1ccc(-c2ccc(C(=O)N[C@@H]3CCOC[C@H]3OC)cc2)cc1
InChIInChI=1S/C22H27NO3/c1-3-4-16-5-7-17(8-6-16)18-9-11-19(12-10-18)22(24)23-20-13-14-26-15-21(20)25-2/h5-12,20-21H,3-4,13-15H2,1-2H3,(H,23,24)/t20-,21-/m1/s1
InChIKeyQRPSLVURFWDFJY-NHCUHLMSSA-N
XLogP3.84
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-hydroxyethylsulfanyl)-N-[(3S,4R)-3-methoxyoxan-4-yl]benzamide
CID 91762413
6-methoxy-N-[(3S,4R)-3-methoxyoxan-4-yl]pyridine-3-carboxamide
CID 91793620
N-(3-ethoxyoxan-4-yl)-4-(4-methoxyphenoxy)benzamide
CID 156608381
4-(hydroxymethyl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]benzamide
CID 91795848
N-[(3S,4R)-3-ethoxyoxan-4-yl]-4-morpholin-4-ylbenzamide
CID 91764505
3-(2-ethoxyethoxy)-N-[(3S,4R)-3-methoxyoxan-4-yl]benzamide
CID 91761869
2-cyano-N-[(3S,4R)-3-methoxyoxan-4-yl]benzamide
CID 91770020
2,6-difluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]-3-methylbenzamide
CID 91788905
methyl 4-[4-(4-propylphenyl)phenyl]benzoate
CID 142331537
2-chloro-N-(3-methoxyoxan-4-yl)acetamide
CID 127013218
4-(ethylsulfonylamino)-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]benzamide
CID 91772259
3-ethyl-N-[(3S,4R)-3-methoxyoxan-4-yl]-1H-indole-2-carboxamide
CID 91772747

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-methoxyoxan-4-yl]-4-(4-propylphenyl)benzamide?
The IUPAC name of N-[(3S,4R)-3-methoxyoxan-4-yl]-4-(4-propylphenyl)benzamide (CID 91762361) is N-[(3S,4R)-3-methoxyoxan-4-yl]-4-(4-propylphenyl)benzamide.
What is the SMILES notation for N-[(3S,4R)-3-methoxyoxan-4-yl]-4-(4-propylphenyl)benzamide?
The canonical SMILES for N-[(3S,4R)-3-methoxyoxan-4-yl]-4-(4-propylphenyl)benzamide is CCCc1ccc(-c2ccc(C(=O)N[C@@H]3CCOC[C@H]3OC)cc2)cc1.
What is the InChIKey of N-[(3S,4R)-3-methoxyoxan-4-yl]-4-(4-propylphenyl)benzamide?
The InChIKey is QRPSLVURFWDFJY-NHCUHLMSSA-N. The full InChI is InChI=1S/C22H27NO3/c1-3-4-16-5-7-17(8-6-16)18-9-11-19(12-10-18)22(24)23-20-13-14-26-15-21(20)25-2/h5-12,20-21H,3-4,13-15H2,1-2H3,(H,23,24)/t20-,21-/m1/s1.
What are the key properties of N-[(3S,4R)-3-methoxyoxan-4-yl]-4-(4-propylphenyl)benzamide?
N-[(3S,4R)-3-methoxyoxan-4-yl]-4-(4-propylphenyl)benzamide has a molecular weight of 353.46 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-methoxyoxan-4-yl]-4-(4-propylphenyl)benzamide is sourced from PubChem (CID 91762361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).