N-[2-[(2-chloro-4-ethyl-5-methylphenoxy)methyl]-3-ethylphenyl]propanamide

C21H26ClNO2 — CID 126588143

IUPACN-[2-[(2-chloro-4-ethyl-5-methylphenoxy)methyl]-3-ethylphenyl]propanamide
SMILESCCC(=O)Nc1cccc(CC)c1COc1cc(C)c(CC)cc1Cl
InChIInChI=1S/C21H26ClNO2/c1-5-15-9-8-10-19(23-21(24)7-3)17(15)13-25-20-11-14(4)16(6-2)12-18(20)22/h8-12H,5-7,13H2,1-4H3,(H,23,24)
InChIKeyZFTRROFLUNZFQA-UHFFFAOYSA-N
MW359.90 g/mol
LogP5.70
Rot. Bonds7

About N-[2-[(2-chloro-4-ethyl-5-methylphenoxy)methyl]-3-ethylphenyl]propanamide

N-[2-[(2-chloro-4-ethyl-5-methylphenoxy)methyl]-3-ethylphenyl]propanamide (PubChem CID 126588143) has the molecular formula C21H26ClNO2 and a molecular weight of 359.90 g/mol. Its IUPAC name is N-[2-[(2-chloro-4-ethyl-5-methylphenoxy)methyl]-3-ethylphenyl]propanamide.

Molecular Properties

Compound NameN-[2-[(2-chloro-4-ethyl-5-methylphenoxy)methyl]-3-ethylphenyl]propanamide
PubChem CID126588143
Molecular FormulaC21H26ClNO2
Molecular Weight359.90 g/mol
Exact Mass359.17
IUPAC NameN-[2-[(2-chloro-4-ethyl-5-methylphenoxy)methyl]-3-ethylphenyl]propanamide
SMILESCCC(=O)Nc1cccc(CC)c1COc1cc(C)c(CC)cc1Cl
InChIInChI=1S/C21H26ClNO2/c1-5-15-9-8-10-19(23-21(24)7-3)17(15)13-25-20-11-14(4)16(6-2)12-18(20)22/h8-12H,5-7,13H2,1-4H3,(H,23,24)
InChIKeyZFTRROFLUNZFQA-UHFFFAOYSA-N
XLogP5.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.90
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(2,4-diethyl-5-methylphenoxy)methyl]-3-ethylphenyl]propanamide
CID 126588973
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
methyl N-[3-chloro-2-[(2-chloro-4-ethyl-5-methylphenoxy)methyl]phenyl]carbamate
CID 126588620
N-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-methoxyphenyl]propanamide
CID 126587753
N-[2-[(2-ethyl-4,5-dimethylphenoxy)methyl]-3-methylphenyl]propanamide
CID 129038836
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
fluoromethyl N-[3-chloro-2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl]carbamate
CID 126588118
N-[3-chloro-2-[(2-fluoro-4-methylphenoxy)methyl]phenyl]propanamide
CID 129038589

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chloro-4-ethyl-5-methylphenoxy)methyl]-3-ethylphenyl]propanamide?
The IUPAC name of N-[2-[(2-chloro-4-ethyl-5-methylphenoxy)methyl]-3-ethylphenyl]propanamide (CID 126588143) is N-[2-[(2-chloro-4-ethyl-5-methylphenoxy)methyl]-3-ethylphenyl]propanamide.
What is the SMILES notation for N-[2-[(2-chloro-4-ethyl-5-methylphenoxy)methyl]-3-ethylphenyl]propanamide?
The canonical SMILES for N-[2-[(2-chloro-4-ethyl-5-methylphenoxy)methyl]-3-ethylphenyl]propanamide is CCC(=O)Nc1cccc(CC)c1COc1cc(C)c(CC)cc1Cl.
What is the InChIKey of N-[2-[(2-chloro-4-ethyl-5-methylphenoxy)methyl]-3-ethylphenyl]propanamide?
The InChIKey is ZFTRROFLUNZFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClNO2/c1-5-15-9-8-10-19(23-21(24)7-3)17(15)13-25-20-11-14(4)16(6-2)12-18(20)22/h8-12H,5-7,13H2,1-4H3,(H,23,24).
What are the key properties of N-[2-[(2-chloro-4-ethyl-5-methylphenoxy)methyl]-3-ethylphenyl]propanamide?
N-[2-[(2-chloro-4-ethyl-5-methylphenoxy)methyl]-3-ethylphenyl]propanamide has a molecular weight of 359.90 g/mol, XLogP of 5.70, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chloro-4-ethyl-5-methylphenoxy)methyl]-3-ethylphenyl]propanamide is sourced from PubChem (CID 126588143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).