N-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-methoxyphenyl]propanamide

C21H27NO3 — CID 126587753

IUPACN-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-methoxyphenyl]propanamide
SMILESCCC(=O)Nc1cccc(OC)c1COc1cc(C)c(CC)cc1C
InChIInChI=1S/C21H27NO3/c1-6-16-11-15(4)20(12-14(16)3)25-13-17-18(22-21(23)7-2)9-8-10-19(17)24-5/h8-12H,6-7,13H2,1-5H3,(H,22,23)
InChIKeyFDJMTVSVXNTHRF-UHFFFAOYSA-N
MW341.45 g/mol
LogP4.80
Rot. Bonds7

About N-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-methoxyphenyl]propanamide

N-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-methoxyphenyl]propanamide (PubChem CID 126587753) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-methoxyphenyl]propanamide.

Molecular Properties

Compound NameN-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-methoxyphenyl]propanamide
PubChem CID126587753
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC NameN-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-methoxyphenyl]propanamide
SMILESCCC(=O)Nc1cccc(OC)c1COc1cc(C)c(CC)cc1C
InChIInChI=1S/C21H27NO3/c1-6-16-11-15(4)20(12-14(16)3)25-13-17-18(22-21(23)7-2)9-8-10-19(17)24-5/h8-12H,6-7,13H2,1-5H3,(H,22,23)
InChIKeyFDJMTVSVXNTHRF-UHFFFAOYSA-N
XLogP4.80
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(2,4-diethyl-5-methylphenoxy)methyl]-3-ethylphenyl]propanamide
CID 126588973
N-[2-[(2-ethyl-4,5-dimethylphenoxy)methyl]-3-methylphenyl]propanamide
CID 129038836
2-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-methoxyphenyl]-N-methylacetamide
CID 126589388
N-[3-chloro-2-[(2,4-diethyl-5-methylphenoxy)methyl]phenyl]propanamide
CID 126588913
N-[3-chloro-2-[(2-ethyl-4,5-dimethylphenoxy)methyl]phenyl]propanamide
CID 129038837
N-[2-[(2-chloro-4-ethyl-5-methylphenoxy)methyl]-3-ethylphenyl]propanamide
CID 126588143
S-methyl N-[3-ethoxy-2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl]carbamothioate
CID 126588861
N-[3-fluoro-2-[(2-fluoro-4,5-dimethylphenoxy)methyl]phenyl]propanamide
CID 129038618
O-methyl N-[3-ethoxy-2-[(2,4,5-trimethylphenoxy)methyl]phenyl]carbamothioate
CID 129038535
O-ethyl N-[3-ethyl-2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl]carbamothioate
CID 126588414
S-methyl N-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-iodophenyl]carbamothioate
CID 126588855
methyl N-[3-ethoxy-2-[(4-ethyl-2-fluoro-5-methylphenoxy)methyl]phenyl]carbamate
CID 126587722

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-methoxyphenyl]propanamide?
The IUPAC name of N-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-methoxyphenyl]propanamide (CID 126587753) is N-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-methoxyphenyl]propanamide.
What is the SMILES notation for N-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-methoxyphenyl]propanamide?
The canonical SMILES for N-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-methoxyphenyl]propanamide is CCC(=O)Nc1cccc(OC)c1COc1cc(C)c(CC)cc1C.
What is the InChIKey of N-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-methoxyphenyl]propanamide?
The InChIKey is FDJMTVSVXNTHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-6-16-11-15(4)20(12-14(16)3)25-13-17-18(22-21(23)7-2)9-8-10-19(17)24-5/h8-12H,6-7,13H2,1-5H3,(H,22,23).
What are the key properties of N-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-methoxyphenyl]propanamide?
N-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-methoxyphenyl]propanamide has a molecular weight of 341.45 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-methoxyphenyl]propanamide is sourced from PubChem (CID 126587753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).