N-[3-[3-(butanoylamino)-2,2-dimethylpropoxy]-2,2-dimethylpropyl]-3-methylbutanamide

C19H38N2O3 — CID 129177621

IUPACN-[3-[3-(butanoylamino)-2,2-dimethylpropoxy]-2,2-dimethylpropyl]-3-methylbutanamide
SMILESCCCC(=O)NCC(C)(C)COCC(C)(C)CNC(=O)CC(C)C
InChIInChI=1S/C19H38N2O3/c1-8-9-16(22)20-11-18(4,5)13-24-14-19(6,7)12-21-17(23)10-15(2)3/h15H,8-14H2,1-7H3,(H,20,22)(H,21,23)
InChIKeyQDIHLPNGRLLEIZ-UHFFFAOYSA-N
MW342.52 g/mol
LogP3.13
Rot. Bonds12

About N-[3-[3-(butanoylamino)-2,2-dimethylpropoxy]-2,2-dimethylpropyl]-3-methylbutanamide

N-[3-[3-(butanoylamino)-2,2-dimethylpropoxy]-2,2-dimethylpropyl]-3-methylbutanamide (PubChem CID 129177621) has the molecular formula C19H38N2O3 and a molecular weight of 342.52 g/mol. Its IUPAC name is N-[3-[3-(butanoylamino)-2,2-dimethylpropoxy]-2,2-dimethylpropyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[3-[3-(butanoylamino)-2,2-dimethylpropoxy]-2,2-dimethylpropyl]-3-methylbutanamide
PubChem CID129177621
Molecular FormulaC19H38N2O3
Molecular Weight342.52 g/mol
Exact Mass342.29
IUPAC NameN-[3-[3-(butanoylamino)-2,2-dimethylpropoxy]-2,2-dimethylpropyl]-3-methylbutanamide
SMILESCCCC(=O)NCC(C)(C)COCC(C)(C)CNC(=O)CC(C)C
InChIInChI=1S/C19H38N2O3/c1-8-9-16(22)20-11-18(4,5)13-24-14-19(6,7)12-21-17(23)10-15(2)3/h15H,8-14H2,1-7H3,(H,20,22)(H,21,23)
InChIKeyQDIHLPNGRLLEIZ-UHFFFAOYSA-N
XLogP3.13
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.52
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2-ethyl-2,4-dimethylpentoxy)-2,2-dimethylpropyl]butanamide
CID 178123006
N-[2-[[3-[3-(butanoylamino)-2,2-dimethylpropoxy]-2,2-dimethylpropyl]amino]-2-oxoethyl]hexanamide
CID 170966316
N-[2-(butanoylamino)ethyl]-3-methylbutanamide
CID 108570913
N-[2-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-methylbutanamide
CID 129177572
N-[3-(2,2-dimethylbutoxy)-2,2-dimethylpropyl]hexadecanamide
CID 162756117
4-[3-(butanoylamino)-2,2-dimethylpropoxy]-N-[3-[2-(methoxymethyl)-2-methylbutoxy]-2,2-dimethylpropyl]-3,3-dimethylbutanamide
CID 170966709
CID 162756197
CID 162756197
N-[3-(2,2-dimethylpropoxy)-2,2-dimethylpropyl]propanamide
CID 130332874
N-[2,2-dimethyl-3-[3-(2-methylpropylamino)-3-oxopropoxy]propyl]-3-[2-(propan-2-ylamino)ethoxy]propanamide
CID 170124015
N-[3-[3-[3-(3-amino-2,2-dimethylpropoxy)propanoylamino]-2,2-dimethylpropoxy]-2,2-dimethylpropyl]hexadecanamide;ethane
CID 171529103
N-[3-[3-[[2-[methoxy(methyl)amino]acetyl]amino]-2,2-dimethylpropoxy]-2,2-dimethylpropyl]hexadecanamide
CID 170129030
5-[[3-[2-(acetamidomethyl)-2-ethylbutoxy]-2,2-dimethylpropyl]amino]-2-aminooxy-5-oxopentanoic acid
CID 166131979

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(butanoylamino)-2,2-dimethylpropoxy]-2,2-dimethylpropyl]-3-methylbutanamide?
The IUPAC name of N-[3-[3-(butanoylamino)-2,2-dimethylpropoxy]-2,2-dimethylpropyl]-3-methylbutanamide (CID 129177621) is N-[3-[3-(butanoylamino)-2,2-dimethylpropoxy]-2,2-dimethylpropyl]-3-methylbutanamide.
What is the SMILES notation for N-[3-[3-(butanoylamino)-2,2-dimethylpropoxy]-2,2-dimethylpropyl]-3-methylbutanamide?
The canonical SMILES for N-[3-[3-(butanoylamino)-2,2-dimethylpropoxy]-2,2-dimethylpropyl]-3-methylbutanamide is CCCC(=O)NCC(C)(C)COCC(C)(C)CNC(=O)CC(C)C.
What is the InChIKey of N-[3-[3-(butanoylamino)-2,2-dimethylpropoxy]-2,2-dimethylpropyl]-3-methylbutanamide?
The InChIKey is QDIHLPNGRLLEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O3/c1-8-9-16(22)20-11-18(4,5)13-24-14-19(6,7)12-21-17(23)10-15(2)3/h15H,8-14H2,1-7H3,(H,20,22)(H,21,23).
What are the key properties of N-[3-[3-(butanoylamino)-2,2-dimethylpropoxy]-2,2-dimethylpropyl]-3-methylbutanamide?
N-[3-[3-(butanoylamino)-2,2-dimethylpropoxy]-2,2-dimethylpropyl]-3-methylbutanamide has a molecular weight of 342.52 g/mol, XLogP of 3.13, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(butanoylamino)-2,2-dimethylpropoxy]-2,2-dimethylpropyl]-3-methylbutanamide is sourced from PubChem (CID 129177621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).