N-[2-cyclopropyl-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-N-hydroxypropanamide

C22H27NO3 — CID 126589180

IUPACN-[2-cyclopropyl-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-N-hydroxypropanamide
SMILESCCC(=O)N(O)c1c(COc2ccc(CC)cc2C)cccc1C1CC1
InChIInChI=1S/C22H27NO3/c1-4-16-9-12-20(15(3)13-16)26-14-18-7-6-8-19(17-10-11-17)22(18)23(25)21(24)5-2/h6-9,12-13,17,25H,4-5,10-11,14H2,1-3H3
InChIKeyQBVSLTJBRWBRPX-UHFFFAOYSA-N
MW353.46 g/mol
LogP5.15
Rot. Bonds7

About N-[2-cyclopropyl-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-N-hydroxypropanamide

N-[2-cyclopropyl-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-N-hydroxypropanamide (PubChem CID 126589180) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is N-[2-cyclopropyl-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-N-hydroxypropanamide.

Molecular Properties

Compound NameN-[2-cyclopropyl-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-N-hydroxypropanamide
PubChem CID126589180
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC NameN-[2-cyclopropyl-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-N-hydroxypropanamide
SMILESCCC(=O)N(O)c1c(COc2ccc(CC)cc2C)cccc1C1CC1
InChIInChI=1S/C22H27NO3/c1-4-16-9-12-20(15(3)13-16)26-14-18-7-6-8-19(17-10-11-17)22(18)23(25)21(24)5-2/h6-9,12-13,17,25H,4-5,10-11,14H2,1-3H3
InChIKeyQBVSLTJBRWBRPX-UHFFFAOYSA-N
XLogP5.15
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.46
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

S-methyl N-[2-cyclopropyl-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-N-hydroxycarbamothioate
CID 126515841
1-[2-cyclopropyl-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-1-hydroxy-3-methylurea
CID 126515595
N-[3-ethyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-N-hydroxypropanamide
CID 126589342
difluoromethyl N-[2-cyclopropyl-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamate
CID 126589148
N-[3-cyclopropyl-2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl]-N-hydroxypropanamide
CID 126588218
S-[3-cyclopropyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl] propanethioate
CID 122626928
N-[4-chloro-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-N-hydroxypropanamide
CID 126589113
N-[2-cyclopropyl-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxypropanamide;N-[2-(difluoromethyl)-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxypropanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethoxyphenyl]-N-hydroxypropanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethylphenyl]-N-hydroxypropanamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-methoxyphenyl]-N-hydroxypropanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-(trifluoromethyl)phenyl]-N-hydroxypropanethioamide
CID 160535138
1-[2-[(4-ethyl-2-methylphenoxy)methyl]-6-propan-2-ylphenyl]-1-hydroxy-3-methylurea
CID 126587966
1-[2-[(4-ethyl-2-methylphenoxy)methyl]-6-(trifluoromethyl)phenyl]-1-hydroxy-3-methylurea
CID 126587969
ethyl 3-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]benzoate
CID 121367560
N-[4-bromo-2-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxypropanamide;N-[4-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxypropanamide;N-[2-[(2,4-dimethylphenoxy)methyl]-4-ethylphenyl]-N-hydroxypropanamide;N-[2-[(2,4-dimethylphenoxy)methyl]-4-iodophenyl]-N-hydroxypropanamide;N-[2-[(2,4-dimethylphenoxy)methyl]-4-methylphenyl]-N-hydroxypropanamide
CID 158664946

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopropyl-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-N-hydroxypropanamide?
The IUPAC name of N-[2-cyclopropyl-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-N-hydroxypropanamide (CID 126589180) is N-[2-cyclopropyl-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-N-hydroxypropanamide.
What is the SMILES notation for N-[2-cyclopropyl-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-N-hydroxypropanamide?
The canonical SMILES for N-[2-cyclopropyl-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-N-hydroxypropanamide is CCC(=O)N(O)c1c(COc2ccc(CC)cc2C)cccc1C1CC1.
What is the InChIKey of N-[2-cyclopropyl-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-N-hydroxypropanamide?
The InChIKey is QBVSLTJBRWBRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c1-4-16-9-12-20(15(3)13-16)26-14-18-7-6-8-19(17-10-11-17)22(18)23(25)21(24)5-2/h6-9,12-13,17,25H,4-5,10-11,14H2,1-3H3.
What are the key properties of N-[2-cyclopropyl-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-N-hydroxypropanamide?
N-[2-cyclopropyl-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-N-hydroxypropanamide has a molecular weight of 353.46 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopropyl-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-N-hydroxypropanamide is sourced from PubChem (CID 126589180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).