N-[2,2-dimethyl-3-[2-methyl-3-[[2-(2-oxoethoxy)acetyl]amino]propoxy]propyl]-2,3-dimethylbutanamide

C19H36N2O5 — CID 130332966

IUPACN-[2,2-dimethyl-3-[2-methyl-3-[[2-(2-oxoethoxy)acetyl]amino]propoxy]propyl]-2,3-dimethylbutanamide
SMILESCC(CNC(=O)COCC=O)COCC(C)(C)CNC(=O)C(C)C(C)C
InChIInChI=1S/C19H36N2O5/c1-14(2)16(4)18(24)21-12-19(5,6)13-26-10-15(3)9-20-17(23)11-25-8-7-22/h7,14-16H,8-13H2,1-6H3,(H,20,23)(H,21,24)
InChIKeyCYCITJOHXQXGOP-UHFFFAOYSA-N
MW372.51 g/mol
LogP1.41
Rot. Bonds14

About N-[2,2-dimethyl-3-[2-methyl-3-[[2-(2-oxoethoxy)acetyl]amino]propoxy]propyl]-2,3-dimethylbutanamide

N-[2,2-dimethyl-3-[2-methyl-3-[[2-(2-oxoethoxy)acetyl]amino]propoxy]propyl]-2,3-dimethylbutanamide (PubChem CID 130332966) has the molecular formula C19H36N2O5 and a molecular weight of 372.51 g/mol. Its IUPAC name is N-[2,2-dimethyl-3-[2-methyl-3-[[2-(2-oxoethoxy)acetyl]amino]propoxy]propyl]-2,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2,2-dimethyl-3-[2-methyl-3-[[2-(2-oxoethoxy)acetyl]amino]propoxy]propyl]-2,3-dimethylbutanamide
PubChem CID130332966
Molecular FormulaC19H36N2O5
Molecular Weight372.51 g/mol
Exact Mass372.26
IUPAC NameN-[2,2-dimethyl-3-[2-methyl-3-[[2-(2-oxoethoxy)acetyl]amino]propoxy]propyl]-2,3-dimethylbutanamide
SMILESCC(CNC(=O)COCC=O)COCC(C)(C)CNC(=O)C(C)C(C)C
InChIInChI=1S/C19H36N2O5/c1-14(2)16(4)18(24)21-12-19(5,6)13-26-10-15(3)9-20-17(23)11-25-8-7-22/h7,14-16H,8-13H2,1-6H3,(H,20,23)(H,21,24)
InChIKeyCYCITJOHXQXGOP-UHFFFAOYSA-N
XLogP1.41
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-2,3-dimethylbutanamide
CID 115365699
N-(3-chloro-2,2-dimethylpropyl)-2,3-dimethylbutanamide
CID 115364703
N-(3-chloro-2-methylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212390
N-[2,2-dimethyl-3-(2-methyl-4-oxohexoxy)propyl]formamide
CID 171557578
N-(2-ethoxyethyl)-2-(2-oxoethoxy)acetamide
CID 139515963
2-[2-[2-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]propylamino]-2-oxoethoxy]acetic acid
CID 123717759
[2-methyl-2-[2-methyl-2-[[2-(2-oxoethoxy)acetyl]amino]propoxy]propyl] cyanate
CID 170278273
methyl 3-(2,3-dimethylbutanoylamino)-2-iodopropanoate
CID 103493307
2-methyl-3-(2,2,2-trifluoroethoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 106706230
N-(3-hydroxy-2,2-dimethylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103820669
N-[2,2-dimethyl-3-[3-(2-methylpropylamino)-3-oxopropoxy]propyl]-3-[2-(propan-2-ylamino)ethoxy]propanamide
CID 170124015
N-[3-[3-(butanoylamino)-2,2-dimethylpropoxy]-2,2-dimethylpropyl]-3-methylbutanamide
CID 129177621

Frequently Asked Questions

What is the IUPAC name of N-[2,2-dimethyl-3-[2-methyl-3-[[2-(2-oxoethoxy)acetyl]amino]propoxy]propyl]-2,3-dimethylbutanamide?
The IUPAC name of N-[2,2-dimethyl-3-[2-methyl-3-[[2-(2-oxoethoxy)acetyl]amino]propoxy]propyl]-2,3-dimethylbutanamide (CID 130332966) is N-[2,2-dimethyl-3-[2-methyl-3-[[2-(2-oxoethoxy)acetyl]amino]propoxy]propyl]-2,3-dimethylbutanamide.
What is the SMILES notation for N-[2,2-dimethyl-3-[2-methyl-3-[[2-(2-oxoethoxy)acetyl]amino]propoxy]propyl]-2,3-dimethylbutanamide?
The canonical SMILES for N-[2,2-dimethyl-3-[2-methyl-3-[[2-(2-oxoethoxy)acetyl]amino]propoxy]propyl]-2,3-dimethylbutanamide is CC(CNC(=O)COCC=O)COCC(C)(C)CNC(=O)C(C)C(C)C.
What is the InChIKey of N-[2,2-dimethyl-3-[2-methyl-3-[[2-(2-oxoethoxy)acetyl]amino]propoxy]propyl]-2,3-dimethylbutanamide?
The InChIKey is CYCITJOHXQXGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O5/c1-14(2)16(4)18(24)21-12-19(5,6)13-26-10-15(3)9-20-17(23)11-25-8-7-22/h7,14-16H,8-13H2,1-6H3,(H,20,23)(H,21,24).
What are the key properties of N-[2,2-dimethyl-3-[2-methyl-3-[[2-(2-oxoethoxy)acetyl]amino]propoxy]propyl]-2,3-dimethylbutanamide?
N-[2,2-dimethyl-3-[2-methyl-3-[[2-(2-oxoethoxy)acetyl]amino]propoxy]propyl]-2,3-dimethylbutanamide has a molecular weight of 372.51 g/mol, XLogP of 1.41, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-dimethyl-3-[2-methyl-3-[[2-(2-oxoethoxy)acetyl]amino]propoxy]propyl]-2,3-dimethylbutanamide is sourced from PubChem (CID 130332966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).