N-(2-methoxyethyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide

C14H18N2O3 — CID 110390561

IUPACN-(2-methoxyethyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
SMILESCOCCNC(=O)CCc1ccc2oc(C)nc2c1
InChIInChI=1S/C14H18N2O3/c1-10-16-12-9-11(3-5-13(12)19-10)4-6-14(17)15-7-8-18-2/h3,5,9H,4,6-8H2,1-2H3,(H,15,17)
InChIKeyHDHYICAZMQLDTC-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.83
Rot. Bonds6

About N-(2-methoxyethyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide

N-(2-methoxyethyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide (PubChem CID 110390561) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
PubChem CID110390561
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-(2-methoxyethyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
SMILESCOCCNC(=O)CCc1ccc2oc(C)nc2c1
InChIInChI=1S/C14H18N2O3/c1-10-16-12-9-11(3-5-13(12)19-10)4-6-14(17)15-7-8-18-2/h3,5,9H,4,6-8H2,1-2H3,(H,15,17)
InChIKeyHDHYICAZMQLDTC-UHFFFAOYSA-N
XLogP1.83
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)ethyl]-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 110390565
N-[(4-methoxyphenyl)methyl]-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 110390584
3-(2-methoxyphenyl)-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]propanamide
CID 110707517
3-cyano-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]propanamide
CID 115173969
3-(2-methyl-1,3-benzoxazol-5-yl)-N-(4-methylphenyl)propanamide
CID 110390639
N-[(2-fluorophenyl)methyl]-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 110390579
N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]-2-phenoxyacetamide
CID 110707496
3-(3-methoxyphenyl)-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]propanamide
CID 110791095
N-(2-methoxy-5-methylphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 110390666
2-(2-methyl-1,3-benzoxazol-5-yl)-N-(3-methylbutyl)acetamide
CID 110773848
N-(3-bromophenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 110390691
2-(2-chlorophenyl)-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]acetamide
CID 110707532

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide?
The IUPAC name of N-(2-methoxyethyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide (CID 110390561) is N-(2-methoxyethyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide?
The canonical SMILES for N-(2-methoxyethyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide is COCCNC(=O)CCc1ccc2oc(C)nc2c1.
What is the InChIKey of N-(2-methoxyethyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide?
The InChIKey is HDHYICAZMQLDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-10-16-12-9-11(3-5-13(12)19-10)4-6-14(17)15-7-8-18-2/h3,5,9H,4,6-8H2,1-2H3,(H,15,17).
What are the key properties of N-(2-methoxyethyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide?
N-(2-methoxyethyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide has a molecular weight of 262.31 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide is sourced from PubChem (CID 110390561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).