N-[(3-propan-2-yloxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide

C22H29NO3 — CID 43904321

IUPACN-[(3-propan-2-yloxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide
SMILESCc1cc(C)c(C)c(OC(C)C(=O)NCc2cccc(OC(C)C)c2)c1
InChIInChI=1S/C22H29NO3/c1-14(2)25-20-9-7-8-19(12-20)13-23-22(24)18(6)26-21-11-15(3)10-16(4)17(21)5/h7-12,14,18H,13H2,1-6H3,(H,23,24)
InChIKeyHSTPUTPPMNTTKO-UHFFFAOYSA-N
MW355.48 g/mol
LogP4.48
Rot. Bonds7

About N-[(3-propan-2-yloxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide

N-[(3-propan-2-yloxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide (PubChem CID 43904321) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-[(3-propan-2-yloxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide.

Molecular Properties

Compound NameN-[(3-propan-2-yloxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide
PubChem CID43904321
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC NameN-[(3-propan-2-yloxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide
SMILESCc1cc(C)c(C)c(OC(C)C(=O)NCc2cccc(OC(C)C)c2)c1
InChIInChI=1S/C22H29NO3/c1-14(2)25-20-9-7-8-19(12-20)13-23-22(24)18(6)26-21-11-15(3)10-16(4)17(21)5/h7-12,14,18H,13H2,1-6H3,(H,23,24)
InChIKeyHSTPUTPPMNTTKO-UHFFFAOYSA-N
XLogP4.48
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2,4-dimethylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide
CID 99132322
(2S)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 28636993
(2R)-N-[(3-propan-2-yloxyphenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 92683578
(2R)-N-[(3,4-dimethoxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 92685312
(2R)-N-[(4-chlorophenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 92680001
(2S)-2-(2,3-dimethylphenoxy)-N-[(3-ethoxyphenyl)methyl]propanamide
CID 99131504
(2R)-N-[(2-methylphenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 92675244
(2S)-2-(4-chloro-3-methylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide
CID 99132987
(2S)-2-(2,4-dimethylphenoxy)-N-[(3-ethoxyphenyl)methyl]propanamide
CID 99132247
2-(2,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]propanamide
CID 53282908
(2S)-2-naphthalen-2-yloxy-N-[(3-propan-2-yloxyphenyl)methyl]propanamide
CID 99131030
N-[2-(3-methylphenoxy)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 133239821

Frequently Asked Questions

What is the IUPAC name of N-[(3-propan-2-yloxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide?
The IUPAC name of N-[(3-propan-2-yloxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide (CID 43904321) is N-[(3-propan-2-yloxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide.
What is the SMILES notation for N-[(3-propan-2-yloxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide?
The canonical SMILES for N-[(3-propan-2-yloxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide is Cc1cc(C)c(C)c(OC(C)C(=O)NCc2cccc(OC(C)C)c2)c1.
What is the InChIKey of N-[(3-propan-2-yloxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide?
The InChIKey is HSTPUTPPMNTTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3/c1-14(2)25-20-9-7-8-19(12-20)13-23-22(24)18(6)26-21-11-15(3)10-16(4)17(21)5/h7-12,14,18H,13H2,1-6H3,(H,23,24).
What are the key properties of N-[(3-propan-2-yloxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide?
N-[(3-propan-2-yloxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide has a molecular weight of 355.48 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-propan-2-yloxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide is sourced from PubChem (CID 43904321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).