N-[2-[4-(1-amino-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]oxyethyl]-6-methyl-5-oxoheptanamide

C19H38N2O4 — CID 166464920

IUPACN-[2-[4-(1-amino-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]oxyethyl]-6-methyl-5-oxoheptanamide
SMILESCC(C)C(=O)CCCC(=O)NCCOC(C)(C)CCOC(C)(C)CN
InChIInChI=1S/C19H38N2O4/c1-15(2)16(22)8-7-9-17(23)21-11-13-25-18(3,4)10-12-24-19(5,6)14-20/h15H,7-14,20H2,1-6H3,(H,21,23)
InChIKeyMAHRPHVTYSAABE-UHFFFAOYSA-N
MW358.52 g/mol
LogP2.44
Rot. Bonds14

About N-[2-[4-(1-amino-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]oxyethyl]-6-methyl-5-oxoheptanamide

N-[2-[4-(1-amino-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]oxyethyl]-6-methyl-5-oxoheptanamide (PubChem CID 166464920) has the molecular formula C19H38N2O4 and a molecular weight of 358.52 g/mol. Its IUPAC name is N-[2-[4-(1-amino-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]oxyethyl]-6-methyl-5-oxoheptanamide.

Molecular Properties

Compound NameN-[2-[4-(1-amino-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]oxyethyl]-6-methyl-5-oxoheptanamide
PubChem CID166464920
Molecular FormulaC19H38N2O4
Molecular Weight358.52 g/mol
Exact Mass358.28
IUPAC NameN-[2-[4-(1-amino-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]oxyethyl]-6-methyl-5-oxoheptanamide
SMILESCC(C)C(=O)CCCC(=O)NCCOC(C)(C)CCOC(C)(C)CN
InChIInChI=1S/C19H38N2O4/c1-15(2)16(22)8-7-9-17(23)21-11-13-25-18(3,4)10-12-24-19(5,6)14-20/h15H,7-14,20H2,1-6H3,(H,21,23)
InChIKeyMAHRPHVTYSAABE-UHFFFAOYSA-N
XLogP2.44
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.52
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-methyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutan-2-yl]oxyethyl]-5-oxohexanamide
CID 144763173
4-[3-(3-aminopropoxy)-3-methylbutoxy]-4-methyl-N-[2-[2-methyl-4-[2-methyl-5-[2-[2-methyl-4-(2,6,6-trimethyl-5-oxoheptan-2-yl)oxybutan-2-yl]oxyethylamino]-5-oxopentan-2-yl]oxybutan-2-yl]oxyethyl]pentanamide
CID 138710128
N-[3-[3-(methoxymethoxy)-3-methylbutoxy]-3-methylbutyl]-N'-[3-methyl-3-[3-methyl-3-(propan-2-yloxymethoxy)butoxy]butyl]octanediamide
CID 170374124
6-methyl-N-[2-[2-[2-[2-[2-[2-[3-(3-methylbutylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-oxoheptanamide
CID 176717444
CID 159163951
CID 159163951
N'-[3-[4-(5-amino-2-methylpentan-2-yl)oxy-2-methylbutan-2-yl]oxypropyl]-N-(7-hydroxyheptyl)butanediamide
CID 170149149
7-methyl-N-[7-[(7-methyl-6-oxooctanoyl)amino]heptyl]-6-oxooctanamide
CID 170246304
N-[3-(aminomethoxy)-3-methylbutyl]-4-methylpentanamide
CID 138462196
2-(methylamino)-5-[2-[2-methyl-4-(2-methyl-4-oxopentan-2-yl)oxybutan-2-yl]oxyethylamino]-5-oxopentanoic acid
CID 176958655
7-methyl-N-[6-[(7-methyl-6-oxooctanoyl)amino]hexyl]-6-oxooctanamide;molecular hydrogen
CID 145408102
N-[2-(1-hydroxy-2-methylpropan-2-yl)oxyethyl]tetradecanamide
CID 137393842
2-(3-amino-3-methyl-2-oxobutoxy)-N-[2-[2-methyl-4-[2-methyl-4-(propan-2-ylamino)butan-2-yl]oxybutan-2-yl]oxyethyl]acetamide
CID 143771811

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(1-amino-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]oxyethyl]-6-methyl-5-oxoheptanamide?
The IUPAC name of N-[2-[4-(1-amino-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]oxyethyl]-6-methyl-5-oxoheptanamide (CID 166464920) is N-[2-[4-(1-amino-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]oxyethyl]-6-methyl-5-oxoheptanamide.
What is the SMILES notation for N-[2-[4-(1-amino-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]oxyethyl]-6-methyl-5-oxoheptanamide?
The canonical SMILES for N-[2-[4-(1-amino-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]oxyethyl]-6-methyl-5-oxoheptanamide is CC(C)C(=O)CCCC(=O)NCCOC(C)(C)CCOC(C)(C)CN.
What is the InChIKey of N-[2-[4-(1-amino-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]oxyethyl]-6-methyl-5-oxoheptanamide?
The InChIKey is MAHRPHVTYSAABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O4/c1-15(2)16(22)8-7-9-17(23)21-11-13-25-18(3,4)10-12-24-19(5,6)14-20/h15H,7-14,20H2,1-6H3,(H,21,23).
What are the key properties of N-[2-[4-(1-amino-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]oxyethyl]-6-methyl-5-oxoheptanamide?
N-[2-[4-(1-amino-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]oxyethyl]-6-methyl-5-oxoheptanamide has a molecular weight of 358.52 g/mol, XLogP of 2.44, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(1-amino-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]oxyethyl]-6-methyl-5-oxoheptanamide is sourced from PubChem (CID 166464920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).