2-(N-acetyl-2-propan-2-ylanilino)-N-(3-methoxypropyl)acetamide

C17H26N2O3 — CID 113169585

IUPAC2-(N-acetyl-2-propan-2-ylanilino)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN(C(C)=O)c1ccccc1C(C)C
InChIInChI=1S/C17H26N2O3/c1-13(2)15-8-5-6-9-16(15)19(14(3)20)12-17(21)18-10-7-11-22-4/h5-6,8-9,13H,7,10-12H2,1-4H3,(H,18,21)
InChIKeyQXAFEZSOKUPXTL-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.32
Rot. Bonds8

About 2-(N-acetyl-2-propan-2-ylanilino)-N-(3-methoxypropyl)acetamide

2-(N-acetyl-2-propan-2-ylanilino)-N-(3-methoxypropyl)acetamide (PubChem CID 113169585) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-(N-acetyl-2-propan-2-ylanilino)-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2-propan-2-ylanilino)-N-(3-methoxypropyl)acetamide
PubChem CID113169585
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name2-(N-acetyl-2-propan-2-ylanilino)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN(C(C)=O)c1ccccc1C(C)C
InChIInChI=1S/C17H26N2O3/c1-13(2)15-8-5-6-9-16(15)19(14(3)20)12-17(21)18-10-7-11-22-4/h5-6,8-9,13H,7,10-12H2,1-4H3,(H,18,21)
InChIKeyQXAFEZSOKUPXTL-UHFFFAOYSA-N
XLogP2.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.32
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-(N-acetyl-2-propan-2-ylanilino)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 113169641
2-(N-acetyl-2-propan-2-ylanilino)-N-(3-phenylpropyl)acetamide
CID 113169640
2-(N-acetyl-2-ethylanilino)-N-(2-methoxyethyl)acetamide
CID 113169024
N-[2-(N-acetyl-2-propan-2-ylanilino)ethyl]-2-(4-methoxyphenyl)acetamide
CID 113058617
2-(4-acetamido-N-acetylanilino)-N-(3-methoxypropyl)acetamide
CID 113175889
3-(N-acetyl-2-methoxyanilino)-N-(3-methoxypropyl)propanamide
CID 113128709
methyl 3-[acetyl-[2-(3-methoxypropylamino)-2-oxoethyl]amino]-4-chlorobenzoate
CID 113176515
2-(N-acetyl-2-propan-2-ylanilino)-N-(4-chlorophenyl)acetamide
CID 113169682
3-(N-acetyl-2-propan-2-ylanilino)-N-(3-methylbutyl)propanamide
CID 113125720
methyl 2-[acetyl-[2-(3-methylbutylamino)-2-oxoethyl]amino]benzoate
CID 113176098
2-(N-acetyl-2-ethoxyanilino)-N-[3-(dimethylamino)propyl]acetamide
CID 113173694
2-(N-acetyl-2-propan-2-ylanilino)-N-[4-(diethylamino)phenyl]acetamide
CID 113169714

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2-propan-2-ylanilino)-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-(N-acetyl-2-propan-2-ylanilino)-N-(3-methoxypropyl)acetamide (CID 113169585) is 2-(N-acetyl-2-propan-2-ylanilino)-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-2-propan-2-ylanilino)-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-(N-acetyl-2-propan-2-ylanilino)-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CN(C(C)=O)c1ccccc1C(C)C.
What is the InChIKey of 2-(N-acetyl-2-propan-2-ylanilino)-N-(3-methoxypropyl)acetamide?
The InChIKey is QXAFEZSOKUPXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-13(2)15-8-5-6-9-16(15)19(14(3)20)12-17(21)18-10-7-11-22-4/h5-6,8-9,13H,7,10-12H2,1-4H3,(H,18,21).
What are the key properties of 2-(N-acetyl-2-propan-2-ylanilino)-N-(3-methoxypropyl)acetamide?
2-(N-acetyl-2-propan-2-ylanilino)-N-(3-methoxypropyl)acetamide has a molecular weight of 306.41 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2-propan-2-ylanilino)-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 113169585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).