N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-4-propylbenzamide

C23H29NO3 — CID 27449368

IUPACN-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-4-propylbenzamide
SMILESCCCc1ccc(C(=O)NCC2(c3ccccc3OC)CCOCC2)cc1
InChIInChI=1S/C23H29NO3/c1-3-6-18-9-11-19(12-10-18)22(25)24-17-23(13-15-27-16-14-23)20-7-4-5-8-21(20)26-2/h4-5,7-12H,3,6,13-17H2,1-2H3,(H,24,25)
InChIKeyMEKYFRJHALHCPH-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.13
Rot. Bonds7

About N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-4-propylbenzamide

N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-4-propylbenzamide (PubChem CID 27449368) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-4-propylbenzamide.

Molecular Properties

Compound NameN-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-4-propylbenzamide
PubChem CID27449368
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC NameN-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-4-propylbenzamide
SMILESCCCc1ccc(C(=O)NCC2(c3ccccc3OC)CCOCC2)cc1
InChIInChI=1S/C23H29NO3/c1-3-6-18-9-11-19(12-10-18)22(25)24-17-23(13-15-27-16-14-23)20-7-4-5-8-21(20)26-2/h4-5,7-12H,3,6,13-17H2,1-2H3,(H,24,25)
InChIKeyMEKYFRJHALHCPH-UHFFFAOYSA-N
XLogP4.13
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27449238
3,4-dimethoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27449461
N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-4-propan-2-yloxybenzamide
CID 27449266
3,4,5-trimethoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27449244
3-bromo-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27449390
3-chloro-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27449405
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-4-propylbenzamide
CID 27450093
N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-4-pyrrol-1-ylbenzamide
CID 110441001
N'-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-N-[(4-methylphenyl)methyl]oxamide
CID 27452518
N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]cyclopropanecarboxamide
CID 27449334
methyl (E)-4-[[4-(2-methoxyphenyl)oxan-4-yl]methylamino]-4-oxobut-2-enoate
CID 146099557
N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]pyridine-4-carboxamide
CID 110444850

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-4-propylbenzamide?
The IUPAC name of N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-4-propylbenzamide (CID 27449368) is N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-4-propylbenzamide.
What is the SMILES notation for N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-4-propylbenzamide?
The canonical SMILES for N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-4-propylbenzamide is CCCc1ccc(C(=O)NCC2(c3ccccc3OC)CCOCC2)cc1.
What is the InChIKey of N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-4-propylbenzamide?
The InChIKey is MEKYFRJHALHCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO3/c1-3-6-18-9-11-19(12-10-18)22(25)24-17-23(13-15-27-16-14-23)20-7-4-5-8-21(20)26-2/h4-5,7-12H,3,6,13-17H2,1-2H3,(H,24,25).
What are the key properties of N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-4-propylbenzamide?
N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-4-propylbenzamide has a molecular weight of 367.49 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-4-propylbenzamide is sourced from PubChem (CID 27449368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).