N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-3-[3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]propanamide

C20H29N3O5 — CID 96528830

IUPACN-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-3-[3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]propanamide
SMILESCCOCCOCc1cccc(CNC(=O)CCc2nc([C@H](C)OC)no2)c1
InChIInChI=1S/C20H29N3O5/c1-4-26-10-11-27-14-17-7-5-6-16(12-17)13-21-18(24)8-9-19-22-20(23-28-19)15(2)25-3/h5-7,12,15H,4,8-11,13-14H2,1-3H3,(H,21,24)/t15-/m0/s1
InChIKeyYKXFHYPYLWSRPZ-HNNXBMFYSA-N
MW391.47 g/mol
LogP2.58
Rot. Bonds13

About N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-3-[3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]propanamide

N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-3-[3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 96528830) has the molecular formula C20H29N3O5 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-3-[3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-3-[3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID96528830
Molecular FormulaC20H29N3O5
Molecular Weight391.47 g/mol
Exact Mass391.21
IUPAC NameN-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-3-[3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]propanamide
SMILESCCOCCOCc1cccc(CNC(=O)CCc2nc([C@H](C)OC)no2)c1
InChIInChI=1S/C20H29N3O5/c1-4-26-10-11-27-14-17-7-5-6-16(12-17)13-21-18(24)8-9-19-22-20(23-28-19)15(2)25-3/h5-7,12,15H,4,8-11,13-14H2,1-3H3,(H,21,24)/t15-/m0/s1
InChIKeyYKXFHYPYLWSRPZ-HNNXBMFYSA-N
XLogP2.58
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]propanamide
CID 96528499
N-[[3-(phenylmethoxymethyl)phenyl]methyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55693843
3-amino-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]butanamide;hydrochloride
CID 119723077
N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-naphthalen-1-ylacetamide
CID 39590517
(2R)-2-amino-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]propanamide;hydrochloride
CID 119289195
4-(3-bromophenoxy)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]butanamide
CID 55690199
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]propanamide
CID 86998505
N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55748204
3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 71755379
N-[(4-chlorophenyl)methyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 38767491
4-(2,5-dimethylphenyl)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-4-oxobutanamide
CID 55689397
N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-methylpent-2-enamide
CID 76868296

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-3-[3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-3-[3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]propanamide (CID 96528830) is N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-3-[3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-3-[3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-3-[3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]propanamide is CCOCCOCc1cccc(CNC(=O)CCc2nc([C@H](C)OC)no2)c1.
What is the InChIKey of N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-3-[3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is YKXFHYPYLWSRPZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H29N3O5/c1-4-26-10-11-27-14-17-7-5-6-16(12-17)13-21-18(24)8-9-19-22-20(23-28-19)15(2)25-3/h5-7,12,15H,4,8-11,13-14H2,1-3H3,(H,21,24)/t15-/m0/s1.
What are the key properties of N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-3-[3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]propanamide?
N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-3-[3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 391.47 g/mol, XLogP of 2.58, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-3-[3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 96528830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).