N-[3-(2-ethyl-2,4-dimethylpentoxy)-2,2-dimethylpropyl]butanamide

C18H37NO2 — CID 178123006

IUPACN-[3-(2-ethyl-2,4-dimethylpentoxy)-2,2-dimethylpropyl]butanamide
SMILESCCCC(=O)NCC(C)(C)COCC(C)(CC)CC(C)C
InChIInChI=1S/C18H37NO2/c1-8-10-16(20)19-12-17(5,6)13-21-14-18(7,9-2)11-15(3)4/h15H,8-14H2,1-7H3,(H,19,20)
InChIKeyMFNCGTBUDNEGAW-UHFFFAOYSA-N
MW299.50 g/mol
LogP4.41
Rot. Bonds11

About N-[3-(2-ethyl-2,4-dimethylpentoxy)-2,2-dimethylpropyl]butanamide

N-[3-(2-ethyl-2,4-dimethylpentoxy)-2,2-dimethylpropyl]butanamide (PubChem CID 178123006) has the molecular formula C18H37NO2 and a molecular weight of 299.50 g/mol. Its IUPAC name is N-[3-(2-ethyl-2,4-dimethylpentoxy)-2,2-dimethylpropyl]butanamide.

Molecular Properties

Compound NameN-[3-(2-ethyl-2,4-dimethylpentoxy)-2,2-dimethylpropyl]butanamide
PubChem CID178123006
Molecular FormulaC18H37NO2
Molecular Weight299.50 g/mol
Exact Mass299.28
IUPAC NameN-[3-(2-ethyl-2,4-dimethylpentoxy)-2,2-dimethylpropyl]butanamide
SMILESCCCC(=O)NCC(C)(C)COCC(C)(CC)CC(C)C
InChIInChI=1S/C18H37NO2/c1-8-10-16(20)19-12-17(5,6)13-21-14-18(7,9-2)11-15(3)4/h15H,8-14H2,1-7H3,(H,19,20)
InChIKeyMFNCGTBUDNEGAW-UHFFFAOYSA-N
XLogP4.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.50
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[3-(butanoylamino)-2,2-dimethylpropoxy]-2,2-dimethylpropyl]-3-methylbutanamide
CID 129177621
4-[3-(butanoylamino)-2,2-dimethylpropoxy]-N-[3-[2-(methoxymethyl)-2-methylbutoxy]-2,2-dimethylpropyl]-3,3-dimethylbutanamide
CID 170966709
4-[(2-ethyl-2,4-dimethylpentoxy)methyl]-2,4-dimethylhexane
CID 88745272
N-[2-[[3-[3-(butanoylamino)-2,2-dimethylpropoxy]-2,2-dimethylpropyl]amino]-2-oxoethyl]hexanamide
CID 170966316
N-[3-(2,2-dimethylbutoxy)-2,2-dimethylpropyl]hexadecanamide
CID 162756117
CID 162756197
CID 162756197
N-[3-(2,2-dimethylpropoxy)-2,2-dimethylpropyl]propanamide
CID 130332874
N-(2-hydroxy-2,4-dimethylpentyl)pentanamide
CID 66178352
3-ethoxy-N-(2-hydroxy-2,4-dimethylpentyl)propanamide
CID 66179484
5-[[3-[2-(acetamidomethyl)-2-ethylbutoxy]-2,2-dimethylpropyl]amino]-2-aminooxy-5-oxopentanoic acid
CID 166131979
4-hydroxy-N-(2,2,4-trimethylpentyl)butanamide
CID 115163175
N-[3-[3-[3-(3-amino-2,2-dimethylpropoxy)propanoylamino]-2,2-dimethylpropoxy]-2,2-dimethylpropyl]hexadecanamide;ethane
CID 171529103

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethyl-2,4-dimethylpentoxy)-2,2-dimethylpropyl]butanamide?
The IUPAC name of N-[3-(2-ethyl-2,4-dimethylpentoxy)-2,2-dimethylpropyl]butanamide (CID 178123006) is N-[3-(2-ethyl-2,4-dimethylpentoxy)-2,2-dimethylpropyl]butanamide.
What is the SMILES notation for N-[3-(2-ethyl-2,4-dimethylpentoxy)-2,2-dimethylpropyl]butanamide?
The canonical SMILES for N-[3-(2-ethyl-2,4-dimethylpentoxy)-2,2-dimethylpropyl]butanamide is CCCC(=O)NCC(C)(C)COCC(C)(CC)CC(C)C.
What is the InChIKey of N-[3-(2-ethyl-2,4-dimethylpentoxy)-2,2-dimethylpropyl]butanamide?
The InChIKey is MFNCGTBUDNEGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO2/c1-8-10-16(20)19-12-17(5,6)13-21-14-18(7,9-2)11-15(3)4/h15H,8-14H2,1-7H3,(H,19,20).
What are the key properties of N-[3-(2-ethyl-2,4-dimethylpentoxy)-2,2-dimethylpropyl]butanamide?
N-[3-(2-ethyl-2,4-dimethylpentoxy)-2,2-dimethylpropyl]butanamide has a molecular weight of 299.50 g/mol, XLogP of 4.41, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethyl-2,4-dimethylpentoxy)-2,2-dimethylpropyl]butanamide is sourced from PubChem (CID 178123006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).