N-[2-[(2,4-diethyl-5-methylphenoxy)methyl]-3-ethylphenyl]propanamide

C23H31NO2 — CID 126588973

IUPACN-[2-[(2,4-diethyl-5-methylphenoxy)methyl]-3-ethylphenyl]propanamide
SMILESCCC(=O)Nc1cccc(CC)c1COc1cc(C)c(CC)cc1CC
InChIInChI=1S/C23H31NO2/c1-6-17-11-10-12-21(24-23(25)9-4)20(17)15-26-22-13-16(5)18(7-2)14-19(22)8-3/h10-14H,6-9,15H2,1-5H3,(H,24,25)
InChIKeyNTSNSFFXLPQUED-UHFFFAOYSA-N
MW353.51 g/mol
LogP5.61
Rot. Bonds8

About N-[2-[(2,4-diethyl-5-methylphenoxy)methyl]-3-ethylphenyl]propanamide

N-[2-[(2,4-diethyl-5-methylphenoxy)methyl]-3-ethylphenyl]propanamide (PubChem CID 126588973) has the molecular formula C23H31NO2 and a molecular weight of 353.51 g/mol. Its IUPAC name is N-[2-[(2,4-diethyl-5-methylphenoxy)methyl]-3-ethylphenyl]propanamide.

Molecular Properties

Compound NameN-[2-[(2,4-diethyl-5-methylphenoxy)methyl]-3-ethylphenyl]propanamide
PubChem CID126588973
Molecular FormulaC23H31NO2
Molecular Weight353.51 g/mol
Exact Mass353.24
IUPAC NameN-[2-[(2,4-diethyl-5-methylphenoxy)methyl]-3-ethylphenyl]propanamide
SMILESCCC(=O)Nc1cccc(CC)c1COc1cc(C)c(CC)cc1CC
InChIInChI=1S/C23H31NO2/c1-6-17-11-10-12-21(24-23(25)9-4)20(17)15-26-22-13-16(5)18(7-2)14-19(22)8-3/h10-14H,6-9,15H2,1-5H3,(H,24,25)
InChIKeyNTSNSFFXLPQUED-UHFFFAOYSA-N
XLogP5.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.51
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(2-chloro-4-ethyl-5-methylphenoxy)methyl]-3-ethylphenyl]propanamide
CID 126588143
N-[3-chloro-2-[(2,4-diethyl-5-methylphenoxy)methyl]phenyl]propanamide
CID 126588913
N-[2-[(2-ethyl-4,5-dimethylphenoxy)methyl]-3-methylphenyl]propanamide
CID 129038836
N-[3-chloro-2-[(2-ethyl-4,5-dimethylphenoxy)methyl]phenyl]propanamide
CID 129038837
N-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-methoxyphenyl]propanamide
CID 126587753
O-ethyl N-[3-ethyl-2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl]carbamothioate
CID 126588414
N-[3-fluoro-2-[(2-fluoro-4,5-dimethylphenoxy)methyl]phenyl]propanamide
CID 129038618
O-methyl N-[2-[(2-bromo-4-ethyl-5-methylphenoxy)methyl]-3-ethylphenyl]carbamothioate
CID 126588679
N-(2,3-diethylphenyl)propanamide
CID 142121633
O-methyl N-[3-bromo-2-[(2,4-diethyl-5-methylphenoxy)methyl]phenyl]carbamothioate
CID 129049216
methyl N-[3-bromo-2-[(2-ethyl-4,5-dimethylphenoxy)methyl]phenyl]carbamate
CID 129038513
N-[2-[(2-bromo-4-ethylphenoxy)methyl]-3-methylphenyl]propanamide
CID 126588428

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,4-diethyl-5-methylphenoxy)methyl]-3-ethylphenyl]propanamide?
The IUPAC name of N-[2-[(2,4-diethyl-5-methylphenoxy)methyl]-3-ethylphenyl]propanamide (CID 126588973) is N-[2-[(2,4-diethyl-5-methylphenoxy)methyl]-3-ethylphenyl]propanamide.
What is the SMILES notation for N-[2-[(2,4-diethyl-5-methylphenoxy)methyl]-3-ethylphenyl]propanamide?
The canonical SMILES for N-[2-[(2,4-diethyl-5-methylphenoxy)methyl]-3-ethylphenyl]propanamide is CCC(=O)Nc1cccc(CC)c1COc1cc(C)c(CC)cc1CC.
What is the InChIKey of N-[2-[(2,4-diethyl-5-methylphenoxy)methyl]-3-ethylphenyl]propanamide?
The InChIKey is NTSNSFFXLPQUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO2/c1-6-17-11-10-12-21(24-23(25)9-4)20(17)15-26-22-13-16(5)18(7-2)14-19(22)8-3/h10-14H,6-9,15H2,1-5H3,(H,24,25).
What are the key properties of N-[2-[(2,4-diethyl-5-methylphenoxy)methyl]-3-ethylphenyl]propanamide?
N-[2-[(2,4-diethyl-5-methylphenoxy)methyl]-3-ethylphenyl]propanamide has a molecular weight of 353.51 g/mol, XLogP of 5.61, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,4-diethyl-5-methylphenoxy)methyl]-3-ethylphenyl]propanamide is sourced from PubChem (CID 126588973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).