N-[(1R,2R)-2-methyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butyl]-3-phenylpropanamide

C25H31N3O5 — CID 93117460

IUPACN-[(1R,2R)-2-methyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butyl]-3-phenylpropanamide
SMILESCC[C@@H](C)[C@@H](NC(=O)CCc1ccccc1)c1nc(-c2cc(OC)c(OC)c(OC)c2)no1
InChIInChI=1S/C25H31N3O5/c1-6-16(2)22(26-21(29)13-12-17-10-8-7-9-11-17)25-27-24(28-33-25)18-14-19(30-3)23(32-5)20(15-18)31-4/h7-11,14-16,22H,6,12-13H2,1-5H3,(H,26,29)/t16-,22-/m1/s1
InChIKeyXPMXRMRIVVNSLN-OPAMFIHVSA-N
MW453.54 g/mol
LogP4.60
Rot. Bonds11

About N-[(1R,2R)-2-methyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butyl]-3-phenylpropanamide

N-[(1R,2R)-2-methyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butyl]-3-phenylpropanamide (PubChem CID 93117460) has the molecular formula C25H31N3O5 and a molecular weight of 453.54 g/mol. Its IUPAC name is N-[(1R,2R)-2-methyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-methyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butyl]-3-phenylpropanamide
PubChem CID93117460
Molecular FormulaC25H31N3O5
Molecular Weight453.54 g/mol
Exact Mass453.23
IUPAC NameN-[(1R,2R)-2-methyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butyl]-3-phenylpropanamide
SMILESCC[C@@H](C)[C@@H](NC(=O)CCc1ccccc1)c1nc(-c2cc(OC)c(OC)c(OC)c2)no1
InChIInChI=1S/C25H31N3O5/c1-6-16(2)22(26-21(29)13-12-17-10-8-7-9-11-17)25-27-24(28-33-25)18-14-19(30-3)23(32-5)20(15-18)31-4/h7-11,14-16,22H,6,12-13H2,1-5H3,(H,26,29)/t16-,22-/m1/s1
InChIKeyXPMXRMRIVVNSLN-OPAMFIHVSA-N
XLogP4.60
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(1R,2R)-2-methyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butyl]-3-phenylpropanamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(1S,2R)-2-methyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butyl]furan-2-carboxamide
CID 93071124
2-chloro-N-[2-methyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butyl]acetamide
CID 42797782
N-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]-3-phenylpropanamide
CID 83280875
4-methoxy-N-[(1R,2R)-2-methyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butyl]benzamide
CID 93117452
N-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]-3-phenylpropanamide
CID 83273049
N-[(1R,2R)-2-methyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butyl]-4-(trifluoromethyl)benzamide
CID 93117468
1-(4-methylsulfanylphenyl)-3-[2-methyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butyl]urea
CID 42797916
N-[1-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]-3-phenylpropanamide
CID 83284501
4-methyl-N-[(1S)-2-phenyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 98695111
(2S)-1-[[(1S)-2-methyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propyl]amino]-3-phenylmethoxypropan-2-ol
CID 93184089
N-[(2S)-4-phenylbutan-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 30803663
N-[(1R,2S)-1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]-2-phenylmethoxyacetamide
CID 98370312

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-methyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butyl]-3-phenylpropanamide?
The IUPAC name of N-[(1R,2R)-2-methyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butyl]-3-phenylpropanamide (CID 93117460) is N-[(1R,2R)-2-methyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butyl]-3-phenylpropanamide.
What is the SMILES notation for N-[(1R,2R)-2-methyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butyl]-3-phenylpropanamide?
The canonical SMILES for N-[(1R,2R)-2-methyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butyl]-3-phenylpropanamide is CC[C@@H](C)[C@@H](NC(=O)CCc1ccccc1)c1nc(-c2cc(OC)c(OC)c(OC)c2)no1.
What is the InChIKey of N-[(1R,2R)-2-methyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butyl]-3-phenylpropanamide?
The InChIKey is XPMXRMRIVVNSLN-OPAMFIHVSA-N. The full InChI is InChI=1S/C25H31N3O5/c1-6-16(2)22(26-21(29)13-12-17-10-8-7-9-11-17)25-27-24(28-33-25)18-14-19(30-3)23(32-5)20(15-18)31-4/h7-11,14-16,22H,6,12-13H2,1-5H3,(H,26,29)/t16-,22-/m1/s1.
What are the key properties of N-[(1R,2R)-2-methyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butyl]-3-phenylpropanamide?
N-[(1R,2R)-2-methyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butyl]-3-phenylpropanamide has a molecular weight of 453.54 g/mol, XLogP of 4.60, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-methyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butyl]-3-phenylpropanamide is sourced from PubChem (CID 93117460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).