N-[3-(2-ethoxy-2-methylpropoxy)-3-methylbutyl]-2-(methylamino)pentanamide

C17H36N2O3 — CID 174323888

IUPACN-[3-(2-ethoxy-2-methylpropoxy)-3-methylbutyl]-2-(methylamino)pentanamide
SMILESCCCC(NC)C(=O)NCCC(C)(C)OCC(C)(C)OCC
InChIInChI=1S/C17H36N2O3/c1-8-10-14(18-7)15(20)19-12-11-16(3,4)22-13-17(5,6)21-9-2/h14,18H,8-13H2,1-7H3,(H,19,20)
InChIKeyHYQSFGZIHMKPDS-UHFFFAOYSA-N
MW316.49 g/mol
LogP2.49
Rot. Bonds12

About N-[3-(2-ethoxy-2-methylpropoxy)-3-methylbutyl]-2-(methylamino)pentanamide

N-[3-(2-ethoxy-2-methylpropoxy)-3-methylbutyl]-2-(methylamino)pentanamide (PubChem CID 174323888) has the molecular formula C17H36N2O3 and a molecular weight of 316.49 g/mol. Its IUPAC name is N-[3-(2-ethoxy-2-methylpropoxy)-3-methylbutyl]-2-(methylamino)pentanamide.

Molecular Properties

Compound NameN-[3-(2-ethoxy-2-methylpropoxy)-3-methylbutyl]-2-(methylamino)pentanamide
PubChem CID174323888
Molecular FormulaC17H36N2O3
Molecular Weight316.49 g/mol
Exact Mass316.27
IUPAC NameN-[3-(2-ethoxy-2-methylpropoxy)-3-methylbutyl]-2-(methylamino)pentanamide
SMILESCCCC(NC)C(=O)NCCC(C)(C)OCC(C)(C)OCC
InChIInChI=1S/C17H36N2O3/c1-8-10-14(18-7)15(20)19-12-11-16(3,4)22-13-17(5,6)21-9-2/h14,18H,8-13H2,1-7H3,(H,19,20)
InChIKeyHYQSFGZIHMKPDS-UHFFFAOYSA-N
XLogP2.49
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[3-methyl-3-[2-methyl-2-[(2-methylpropan-2-yl)oxy]propoxy]butyl]propanamide
CID 144786289
(2S)-N-methyl-2-(methylamino)pentanamide
CID 143782023
2-[2-(methylamino)pentanoylamino]acetic acid
CID 154969168
N-(3-ethoxy-3-methylbutyl)prop-2-enamide
CID 123897679
4-[(3-ethoxy-3-methylbutyl)amino]-4-oxobutanoic acid
CID 121263526
tert-butyl (2S)-2-(methylamino)pentanoate
CID 143115703
3-amino-N-(2-ethoxy-2-methylpropyl)-2-methylpropanamide
CID 114941574
N-(2-ethoxy-2-methylpropyl)-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 104985210
2,2-dimethyl-N-[3-methyl-3-[3-methyl-3-(methylamino)butoxy]butyl]-4-(2-methylpentan-2-yloxy)butanamide;ethane
CID 162756506
4-[[(2R)-2-(carbamoylamino)pentanoyl]amino]-2,2-dimethylbutanoic acid
CID 122126162
2-ethoxy-2,4-dimethylheptan-3-one
CID 107896398
N-[3-methyl-3-(3-methylbutoxy)butyl]propanamide
CID 147929425

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethoxy-2-methylpropoxy)-3-methylbutyl]-2-(methylamino)pentanamide?
The IUPAC name of N-[3-(2-ethoxy-2-methylpropoxy)-3-methylbutyl]-2-(methylamino)pentanamide (CID 174323888) is N-[3-(2-ethoxy-2-methylpropoxy)-3-methylbutyl]-2-(methylamino)pentanamide.
What is the SMILES notation for N-[3-(2-ethoxy-2-methylpropoxy)-3-methylbutyl]-2-(methylamino)pentanamide?
The canonical SMILES for N-[3-(2-ethoxy-2-methylpropoxy)-3-methylbutyl]-2-(methylamino)pentanamide is CCCC(NC)C(=O)NCCC(C)(C)OCC(C)(C)OCC.
What is the InChIKey of N-[3-(2-ethoxy-2-methylpropoxy)-3-methylbutyl]-2-(methylamino)pentanamide?
The InChIKey is HYQSFGZIHMKPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O3/c1-8-10-14(18-7)15(20)19-12-11-16(3,4)22-13-17(5,6)21-9-2/h14,18H,8-13H2,1-7H3,(H,19,20).
What are the key properties of N-[3-(2-ethoxy-2-methylpropoxy)-3-methylbutyl]-2-(methylamino)pentanamide?
N-[3-(2-ethoxy-2-methylpropoxy)-3-methylbutyl]-2-(methylamino)pentanamide has a molecular weight of 316.49 g/mol, XLogP of 2.49, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethoxy-2-methylpropoxy)-3-methylbutyl]-2-(methylamino)pentanamide is sourced from PubChem (CID 174323888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).