N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-4-(oxolan-2-ylmethoxy)benzamide

C24H31NO5 — CID 55747392

IUPACN-[1-(3-methoxy-4-propoxyphenyl)ethyl]-4-(oxolan-2-ylmethoxy)benzamide
SMILESCCCOc1ccc(C(C)NC(=O)c2ccc(OCC3CCCO3)cc2)cc1OC
InChIInChI=1S/C24H31NO5/c1-4-13-29-22-12-9-19(15-23(22)27-3)17(2)25-24(26)18-7-10-20(11-8-18)30-16-21-6-5-14-28-21/h7-12,15,17,21H,4-6,13-14,16H2,1-3H3,(H,25,26)
InChIKeyGAYSLYCTOOCAFH-UHFFFAOYSA-N
MW413.51 g/mol
LogP4.53
Rot. Bonds10

About N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-4-(oxolan-2-ylmethoxy)benzamide

N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-4-(oxolan-2-ylmethoxy)benzamide (PubChem CID 55747392) has the molecular formula C24H31NO5 and a molecular weight of 413.51 g/mol. Its IUPAC name is N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-4-(oxolan-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[1-(3-methoxy-4-propoxyphenyl)ethyl]-4-(oxolan-2-ylmethoxy)benzamide
PubChem CID55747392
Molecular FormulaC24H31NO5
Molecular Weight413.51 g/mol
Exact Mass413.22
IUPAC NameN-[1-(3-methoxy-4-propoxyphenyl)ethyl]-4-(oxolan-2-ylmethoxy)benzamide
SMILESCCCOc1ccc(C(C)NC(=O)c2ccc(OCC3CCCO3)cc2)cc1OC
InChIInChI=1S/C24H31NO5/c1-4-13-29-22-12-9-19(15-23(22)27-3)17(2)25-24(26)18-7-10-20(11-8-18)30-16-21-6-5-14-28-21/h7-12,15,17,21H,4-6,13-14,16H2,1-3H3,(H,25,26)
InChIKeyGAYSLYCTOOCAFH-UHFFFAOYSA-N
XLogP4.53
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.51
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]ethyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 97020635
4-ethoxy-3-methoxy-N'-[4-(oxolan-2-ylmethoxy)benzoyl]benzohydrazide
CID 4789040
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-4-methoxybenzamide
CID 46448222
3,4-dimethoxy-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]benzamide
CID 55747285
4-[[(2R)-oxolan-2-yl]methoxy]-N-[(1R)-1-phenylpropyl]benzamide
CID 93234589
1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]ethanamine
CID 16790426
(2R)-4-methyl-2-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]pentanoic acid
CID 119364558
1-[3-methoxy-4-[2-(oxolan-2-yl)ethoxy]phenyl]-N-methylethanamine
CID 65159021
N-[1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 55861969
4-butoxy-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 46530040
4-tert-butyl-N-[[(4-tert-butylbenzoyl)amino]-(3-methoxy-4-propoxyphenyl)methyl]benzamide
CID 18839441
(1S)-1-[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]ethanol
CID 63364699

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-4-(oxolan-2-ylmethoxy)benzamide?
The IUPAC name of N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-4-(oxolan-2-ylmethoxy)benzamide (CID 55747392) is N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-4-(oxolan-2-ylmethoxy)benzamide.
What is the SMILES notation for N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-4-(oxolan-2-ylmethoxy)benzamide?
The canonical SMILES for N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-4-(oxolan-2-ylmethoxy)benzamide is CCCOc1ccc(C(C)NC(=O)c2ccc(OCC3CCCO3)cc2)cc1OC.
What is the InChIKey of N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-4-(oxolan-2-ylmethoxy)benzamide?
The InChIKey is GAYSLYCTOOCAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO5/c1-4-13-29-22-12-9-19(15-23(22)27-3)17(2)25-24(26)18-7-10-20(11-8-18)30-16-21-6-5-14-28-21/h7-12,15,17,21H,4-6,13-14,16H2,1-3H3,(H,25,26).
What are the key properties of N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-4-(oxolan-2-ylmethoxy)benzamide?
N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-4-(oxolan-2-ylmethoxy)benzamide has a molecular weight of 413.51 g/mol, XLogP of 4.53, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-4-(oxolan-2-ylmethoxy)benzamide is sourced from PubChem (CID 55747392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).