2-[acetyl(3-methoxypropyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide

C20H32N2O3 — CID 113160158

IUPAC2-[acetyl(3-methoxypropyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
SMILESCOCCCN(CC(=O)Nc1c(C(C)C)cccc1C(C)C)C(C)=O
InChIInChI=1S/C20H32N2O3/c1-14(2)17-9-7-10-18(15(3)4)20(17)21-19(24)13-22(16(5)23)11-8-12-25-6/h7,9-10,14-15H,8,11-13H2,1-6H3,(H,21,24)
InChIKeyMRYUYUTXXMONTD-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.76
Rot. Bonds9

About 2-[acetyl(3-methoxypropyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide

2-[acetyl(3-methoxypropyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide (PubChem CID 113160158) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is 2-[acetyl(3-methoxypropyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[acetyl(3-methoxypropyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
PubChem CID113160158
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC Name2-[acetyl(3-methoxypropyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
SMILESCOCCCN(CC(=O)Nc1c(C(C)C)cccc1C(C)C)C(C)=O
InChIInChI=1S/C20H32N2O3/c1-14(2)17-9-7-10-18(15(3)4)20(17)21-19(24)13-22(16(5)23)11-8-12-25-6/h7,9-10,14-15H,8,11-13H2,1-6H3,(H,21,24)
InChIKeyMRYUYUTXXMONTD-UHFFFAOYSA-N
XLogP3.76
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[bis(2-methoxyethyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 33483708
2-[bis(2-methoxyethyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 33483586
2-[acetyl(prop-2-enyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 84563712
2-[acetyl(3-methoxypropyl)amino]-N-(3-methoxyphenyl)acetamide
CID 113160118
2-[acetyl(3-methoxypropyl)amino]-N-(4-bromophenyl)acetamide
CID 113160115
2-[acetyl(propan-2-yl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 113158268
2-[acetyl(3-methoxypropyl)amino]-N-(4-tert-butylphenyl)acetamide
CID 113160101
3-[acetyl(3-methoxypropyl)amino]-N-(2,6-diethylphenyl)propanamide
CID 113117165
N-[2,6-di(propan-2-yl)phenyl]-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide
CID 111462499
2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113165479
3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]propanamide
CID 113117613
2-[acetyl(cyclohexyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 113159574

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(3-methoxypropyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide?
The IUPAC name of 2-[acetyl(3-methoxypropyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide (CID 113160158) is 2-[acetyl(3-methoxypropyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-[acetyl(3-methoxypropyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide?
The canonical SMILES for 2-[acetyl(3-methoxypropyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide is COCCCN(CC(=O)Nc1c(C(C)C)cccc1C(C)C)C(C)=O.
What is the InChIKey of 2-[acetyl(3-methoxypropyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide?
The InChIKey is MRYUYUTXXMONTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-14(2)17-9-7-10-18(15(3)4)20(17)21-19(24)13-22(16(5)23)11-8-12-25-6/h7,9-10,14-15H,8,11-13H2,1-6H3,(H,21,24).
What are the key properties of 2-[acetyl(3-methoxypropyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide?
2-[acetyl(3-methoxypropyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide has a molecular weight of 348.49 g/mol, XLogP of 3.76, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(3-methoxypropyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide is sourced from PubChem (CID 113160158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).