N-[3-(3-methylphenyl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

C22H29NO2 — CID 100532072

IUPACN-[3-(3-methylphenyl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCc1cccc(CCCNC(=O)COc2cc(C)ccc2C(C)C)c1
InChIInChI=1S/C22H29NO2/c1-16(2)20-11-10-18(4)14-21(20)25-15-22(24)23-12-6-9-19-8-5-7-17(3)13-19/h5,7-8,10-11,13-14,16H,6,9,12,15H2,1-4H3,(H,23,24)
InChIKeyGGBBXLKJQNUQQX-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.55
Rot. Bonds8

About N-[3-(3-methylphenyl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

N-[3-(3-methylphenyl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (PubChem CID 100532072) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is N-[3-(3-methylphenyl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[3-(3-methylphenyl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
PubChem CID100532072
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC NameN-[3-(3-methylphenyl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCc1cccc(CCCNC(=O)COc2cc(C)ccc2C(C)C)c1
InChIInChI=1S/C22H29NO2/c1-16(2)20-11-10-18(4)14-21(20)25-15-22(24)23-12-6-9-19-8-5-7-17(3)13-19/h5,7-8,10-11,13-14,16H,6,9,12,15H2,1-4H3,(H,23,24)
InChIKeyGGBBXLKJQNUQQX-UHFFFAOYSA-N
XLogP4.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-oxo-2-(3-phenylpropylamino)ethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 35576743
N-(3-ethoxypropyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 78759998
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-methylpropyl)acetamide
CID 18823962
N-(3-methylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 682181
N-[2-(3,4-dimethylphenoxy)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 100559902
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 78759979
N-[2-(benzenesulfonamido)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 86922039
4-chloro-N-[2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]ethyl]benzamide
CID 34992949
2-(3-methoxyphenyl)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]acetohydrazide
CID 35001950
N'-butyl-2-(5-methyl-2-propan-2-ylphenoxy)acetohydrazide
CID 4213436
(2S)-2-(2,5-dimethylphenoxy)-N-[3-(3-methylphenyl)propyl]butanamide
CID 92673118
N-[(3,5-dimethoxyphenyl)methyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 46411942

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methylphenyl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[3-(3-methylphenyl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (CID 100532072) is N-[3-(3-methylphenyl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[3-(3-methylphenyl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[3-(3-methylphenyl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is Cc1cccc(CCCNC(=O)COc2cc(C)ccc2C(C)C)c1.
What is the InChIKey of N-[3-(3-methylphenyl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The InChIKey is GGBBXLKJQNUQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2/c1-16(2)20-11-10-18(4)14-21(20)25-15-22(24)23-12-6-9-19-8-5-7-17(3)13-19/h5,7-8,10-11,13-14,16H,6,9,12,15H2,1-4H3,(H,23,24).
What are the key properties of N-[3-(3-methylphenyl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
N-[3-(3-methylphenyl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide has a molecular weight of 339.48 g/mol, XLogP of 4.55, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methylphenyl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 100532072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).