N-[1,3-bis(2-methylpropoxy)propan-2-yl]-2-(3-methylbutoxy)acetamide

C18H37NO4 — CID 171771197

IUPACN-[1,3-bis(2-methylpropoxy)propan-2-yl]-2-(3-methylbutoxy)acetamide
SMILESCC(C)CCOCC(=O)NC(COCC(C)C)COCC(C)C
InChIInChI=1S/C18H37NO4/c1-14(2)7-8-21-13-18(20)19-17(11-22-9-15(3)4)12-23-10-16(5)6/h14-17H,7-13H2,1-6H3,(H,19,20)
InChIKeyRNJJOTKMRUANHK-UHFFFAOYSA-N
MW331.50 g/mol
LogP2.88
Rot. Bonds14

About N-[1,3-bis(2-methylpropoxy)propan-2-yl]-2-(3-methylbutoxy)acetamide

N-[1,3-bis(2-methylpropoxy)propan-2-yl]-2-(3-methylbutoxy)acetamide (PubChem CID 171771197) has the molecular formula C18H37NO4 and a molecular weight of 331.50 g/mol. Its IUPAC name is N-[1,3-bis(2-methylpropoxy)propan-2-yl]-2-(3-methylbutoxy)acetamide.

Molecular Properties

Compound NameN-[1,3-bis(2-methylpropoxy)propan-2-yl]-2-(3-methylbutoxy)acetamide
PubChem CID171771197
Molecular FormulaC18H37NO4
Molecular Weight331.50 g/mol
Exact Mass331.27
IUPAC NameN-[1,3-bis(2-methylpropoxy)propan-2-yl]-2-(3-methylbutoxy)acetamide
SMILESCC(C)CCOCC(=O)NC(COCC(C)C)COCC(C)C
InChIInChI=1S/C18H37NO4/c1-14(2)7-8-21-13-18(20)19-17(11-22-9-15(3)4)12-23-10-16(5)6/h14-17H,7-13H2,1-6H3,(H,19,20)
InChIKeyRNJJOTKMRUANHK-UHFFFAOYSA-N
XLogP2.88
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[[2-(3-methylbutoxy)acetyl]amino]-3-[3-oxo-3-(propan-2-ylamino)propoxy]propoxy]-N-propan-2-ylpropanamide
CID 170045344
N-(1,3-diethoxypropan-2-yl)-2-[2-[2-(1,3-diethoxypropan-2-ylamino)-2-oxoethoxy]ethoxy]acetamide
CID 21337734
3-[2-[[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]acetyl]amino]-3-[3-oxo-3-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethylamino]propoxy]propoxy]-N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]propanamide
CID 176825441
2-(3-methylbutoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 43793356
2-(3-methylbutoxy)acetohydrazide
CID 63588728
2-[2-[2-oxo-2-(propan-2-ylamino)ethoxy]ethoxy]-N-propan-2-ylacetamide
CID 166950643
2-(2-methoxyethoxy)-N-(6-methylheptan-2-yl)acetamide
CID 86977751
N-(1-methoxypentan-2-yl)-2-propoxyacetamide
CID 107941725
N-methyl-2-(2-methylpropoxy)acetamide
CID 145404647
2-[2-(4-methyl-2-oxopentoxy)ethoxy]-N-propan-2-ylacetamide
CID 163605057
2-[2-[2-[2,2-bis(ethoxymethyl)hydrazinyl]-2-oxoethoxy]ethoxy]-N-(1,3-diethoxypropan-2-yl)acetamide
CID 59101699
2-[2-(3-methylbutoxy)ethoxy]acetic acid
CID 112692943

Frequently Asked Questions

What is the IUPAC name of N-[1,3-bis(2-methylpropoxy)propan-2-yl]-2-(3-methylbutoxy)acetamide?
The IUPAC name of N-[1,3-bis(2-methylpropoxy)propan-2-yl]-2-(3-methylbutoxy)acetamide (CID 171771197) is N-[1,3-bis(2-methylpropoxy)propan-2-yl]-2-(3-methylbutoxy)acetamide.
What is the SMILES notation for N-[1,3-bis(2-methylpropoxy)propan-2-yl]-2-(3-methylbutoxy)acetamide?
The canonical SMILES for N-[1,3-bis(2-methylpropoxy)propan-2-yl]-2-(3-methylbutoxy)acetamide is CC(C)CCOCC(=O)NC(COCC(C)C)COCC(C)C.
What is the InChIKey of N-[1,3-bis(2-methylpropoxy)propan-2-yl]-2-(3-methylbutoxy)acetamide?
The InChIKey is RNJJOTKMRUANHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO4/c1-14(2)7-8-21-13-18(20)19-17(11-22-9-15(3)4)12-23-10-16(5)6/h14-17H,7-13H2,1-6H3,(H,19,20).
What are the key properties of N-[1,3-bis(2-methylpropoxy)propan-2-yl]-2-(3-methylbutoxy)acetamide?
N-[1,3-bis(2-methylpropoxy)propan-2-yl]-2-(3-methylbutoxy)acetamide has a molecular weight of 331.50 g/mol, XLogP of 2.88, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-bis(2-methylpropoxy)propan-2-yl]-2-(3-methylbutoxy)acetamide is sourced from PubChem (CID 171771197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).