N-[3-[3-(ethylamino)-3-oxopropoxy]-3-methylbutyl]butanamide

C14H28N2O3 — CID 146942531

IUPACN-[3-[3-(ethylamino)-3-oxopropoxy]-3-methylbutyl]butanamide
SMILESCCCC(=O)NCCC(C)(C)OCCC(=O)NCC
InChIInChI=1S/C14H28N2O3/c1-5-7-12(17)16-10-9-14(3,4)19-11-8-13(18)15-6-2/h5-11H2,1-4H3,(H,15,18)(H,16,17)
InChIKeyAHDQMUOITHUGFY-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.61
Rot. Bonds10

About N-[3-[3-(ethylamino)-3-oxopropoxy]-3-methylbutyl]butanamide

N-[3-[3-(ethylamino)-3-oxopropoxy]-3-methylbutyl]butanamide (PubChem CID 146942531) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is N-[3-[3-(ethylamino)-3-oxopropoxy]-3-methylbutyl]butanamide.

Molecular Properties

Compound NameN-[3-[3-(ethylamino)-3-oxopropoxy]-3-methylbutyl]butanamide
PubChem CID146942531
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC NameN-[3-[3-(ethylamino)-3-oxopropoxy]-3-methylbutyl]butanamide
SMILESCCCC(=O)NCCC(C)(C)OCCC(=O)NCC
InChIInChI=1S/C14H28N2O3/c1-5-7-12(17)16-10-9-14(3,4)19-11-8-13(18)15-6-2/h5-11H2,1-4H3,(H,15,18)(H,16,17)
InChIKeyAHDQMUOITHUGFY-UHFFFAOYSA-N
XLogP1.61
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,3-dimethylbutyl)butanamide
CID 115580246
4-butoxy-4-methyl-N-propylpentanamide
CID 156884877
4-[(3-ethoxy-3-methylbutyl)amino]-4-oxobutanoic acid
CID 121263526
N-[3-methyl-3-(3-methylbutoxy)butyl]propanamide
CID 147929425
N-[2-[2-[2-[2-[3-[[2-[[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 170214750
N-ethylbutanamide;methanimine
CID 142280316
N-[2-(2-propoxyethoxy)ethyl]butanamide
CID 88853938
dimethyl-[2-[[4-methyl-4-(3-methylpentoxy)pentanoyl]amino]ethyl]azanium
CID 177060891
N-[3-(aminomethoxy)-3-methylbutyl]-4-methylpentanamide
CID 138462196
N'-(2-dodecyltetradecyl)-N-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]butanediamide
CID 123413413
N-ethyl-3-[2-(2-propoxyethoxy)ethoxy]propanamide
CID 144855445
N-[3-[3-(methoxymethoxy)-3-methylbutoxy]-3-methylbutyl]-N'-[3-methyl-3-[3-methyl-3-(propan-2-yloxymethoxy)butoxy]butyl]octanediamide
CID 170374124

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(ethylamino)-3-oxopropoxy]-3-methylbutyl]butanamide?
The IUPAC name of N-[3-[3-(ethylamino)-3-oxopropoxy]-3-methylbutyl]butanamide (CID 146942531) is N-[3-[3-(ethylamino)-3-oxopropoxy]-3-methylbutyl]butanamide.
What is the SMILES notation for N-[3-[3-(ethylamino)-3-oxopropoxy]-3-methylbutyl]butanamide?
The canonical SMILES for N-[3-[3-(ethylamino)-3-oxopropoxy]-3-methylbutyl]butanamide is CCCC(=O)NCCC(C)(C)OCCC(=O)NCC.
What is the InChIKey of N-[3-[3-(ethylamino)-3-oxopropoxy]-3-methylbutyl]butanamide?
The InChIKey is AHDQMUOITHUGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-5-7-12(17)16-10-9-14(3,4)19-11-8-13(18)15-6-2/h5-11H2,1-4H3,(H,15,18)(H,16,17).
What are the key properties of N-[3-[3-(ethylamino)-3-oxopropoxy]-3-methylbutyl]butanamide?
N-[3-[3-(ethylamino)-3-oxopropoxy]-3-methylbutyl]butanamide has a molecular weight of 272.39 g/mol, XLogP of 1.61, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(ethylamino)-3-oxopropoxy]-3-methylbutyl]butanamide is sourced from PubChem (CID 146942531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).