N-(3-propan-2-yloxypropyl)-2-(3,4,5-trimethoxyphenyl)acetamide

C17H27NO5 — CID 8008074

IUPACN-(3-propan-2-yloxypropyl)-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)NCCCOC(C)C)cc(OC)c1OC
InChIInChI=1S/C17H27NO5/c1-12(2)23-8-6-7-18-16(19)11-13-9-14(20-3)17(22-5)15(10-13)21-4/h9-10,12H,6-8,11H2,1-5H3,(H,18,19)
InChIKeyHZHKBMSANKXMER-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.19
Rot. Bonds10

About N-(3-propan-2-yloxypropyl)-2-(3,4,5-trimethoxyphenyl)acetamide

N-(3-propan-2-yloxypropyl)-2-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 8008074) has the molecular formula C17H27NO5 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-(3-propan-2-yloxypropyl)-2-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(3-propan-2-yloxypropyl)-2-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID8008074
Molecular FormulaC17H27NO5
Molecular Weight325.41 g/mol
Exact Mass325.19
IUPAC NameN-(3-propan-2-yloxypropyl)-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)NCCCOC(C)C)cc(OC)c1OC
InChIInChI=1S/C17H27NO5/c1-12(2)23-8-6-7-18-16(19)11-13-9-14(20-3)17(22-5)15(10-13)21-4/h9-10,12H,6-8,11H2,1-5H3,(H,18,19)
InChIKeyHZHKBMSANKXMER-UHFFFAOYSA-N
XLogP2.19
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

di(propan-2-yl)-[2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]ethyl]azanium
CID 8919196
N-[2-[di(propan-2-yl)amino]ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 8919197
N-[2-(methylamino)ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride
CID 119503323
N-[2-[butan-2-yl(methyl)amino]ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 56823979
2-methyl-3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]propanoic acid
CID 119237458
[2-(2-methoxyethylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 2573383
2-(3,4-dimethoxyphenyl)sulfanyl-N-(3-propan-2-yloxypropyl)acetamide
CID 38009327
3-amino-4-methoxy-N-(3-propan-2-yloxypropyl)benzamide
CID 82070538
N-(3-piperazin-1-ylpropyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 119393671
N-(3-propan-2-yloxypropyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 47015106
N-(2,2,2-trifluoroethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 18105578
2,4,5-trimethyl-N-(3-propan-2-yloxypropyl)benzamide
CID 100709096

Frequently Asked Questions

What is the IUPAC name of N-(3-propan-2-yloxypropyl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of N-(3-propan-2-yloxypropyl)-2-(3,4,5-trimethoxyphenyl)acetamide (CID 8008074) is N-(3-propan-2-yloxypropyl)-2-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for N-(3-propan-2-yloxypropyl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for N-(3-propan-2-yloxypropyl)-2-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(CC(=O)NCCCOC(C)C)cc(OC)c1OC.
What is the InChIKey of N-(3-propan-2-yloxypropyl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is HZHKBMSANKXMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO5/c1-12(2)23-8-6-7-18-16(19)11-13-9-14(20-3)17(22-5)15(10-13)21-4/h9-10,12H,6-8,11H2,1-5H3,(H,18,19).
What are the key properties of N-(3-propan-2-yloxypropyl)-2-(3,4,5-trimethoxyphenyl)acetamide?
N-(3-propan-2-yloxypropyl)-2-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 325.41 g/mol, XLogP of 2.19, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propan-2-yloxypropyl)-2-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 8008074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).