3-(3-methoxyphenyl)-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]propanamide

C20H22N2O3 — CID 110791095

IUPAC3-(3-methoxyphenyl)-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]propanamide
SMILESCOc1cccc(CCC(=O)NCCc2ccc3nc(C)oc3c2)c1
InChIInChI=1S/C20H22N2O3/c1-14-22-18-8-6-16(13-19(18)25-14)10-11-21-20(23)9-7-15-4-3-5-17(12-15)24-2/h3-6,8,12-13H,7,9-11H2,1-2H3,(H,21,23)
InChIKeyHVIXARWMFWREFB-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.44
Rot. Bonds7

About 3-(3-methoxyphenyl)-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]propanamide

3-(3-methoxyphenyl)-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]propanamide (PubChem CID 110791095) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]propanamide
PubChem CID110791095
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name3-(3-methoxyphenyl)-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]propanamide
SMILESCOc1cccc(CCC(=O)NCCc2ccc3nc(C)oc3c2)c1
InChIInChI=1S/C20H22N2O3/c1-14-22-18-8-6-16(13-19(18)25-14)10-11-21-20(23)9-7-15-4-3-5-17(12-15)24-2/h3-6,8,12-13H,7,9-11H2,1-2H3,(H,21,23)
InChIKeyHVIXARWMFWREFB-UHFFFAOYSA-N
XLogP3.44
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methoxyphenyl)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]propanamide
CID 110785147
N-[2-(1,3-benzoxazol-2-yl)ethyl]-3-(3-methoxyphenyl)propanamide
CID 110711831
N-[2-(3-methoxyphenyl)ethyl]-2-methyl-1,3-benzoxazole-5-carboxamide
CID 110387937
N-[2-(1,3-benzoxazol-5-yl)ethyl]-3-(3-methoxyphenyl)propanamide
CID 110707393
N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]propanamide
CID 110791037
N-[2-(4-aminophenyl)ethyl]-3-(3-methoxyphenyl)propanamide
CID 119549328
2-(3-fluorophenyl)-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]acetamide
CID 110791108
3-(2-methoxyphenyl)-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]propanamide
CID 110707517
N-[(4-methoxyphenyl)methyl]-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 110390584
3-methyl-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]butanamide
CID 110791042
N-(2-methoxyethyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 110390561
3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 110678832

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]propanamide?
The IUPAC name of 3-(3-methoxyphenyl)-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]propanamide (CID 110791095) is 3-(3-methoxyphenyl)-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]propanamide.
What is the SMILES notation for 3-(3-methoxyphenyl)-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]propanamide?
The canonical SMILES for 3-(3-methoxyphenyl)-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]propanamide is COc1cccc(CCC(=O)NCCc2ccc3nc(C)oc3c2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]propanamide?
The InChIKey is HVIXARWMFWREFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-14-22-18-8-6-16(13-19(18)25-14)10-11-21-20(23)9-7-15-4-3-5-17(12-15)24-2/h3-6,8,12-13H,7,9-11H2,1-2H3,(H,21,23).
What are the key properties of 3-(3-methoxyphenyl)-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]propanamide?
3-(3-methoxyphenyl)-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]propanamide has a molecular weight of 338.41 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]propanamide is sourced from PubChem (CID 110791095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).