N,2-diethyl-2-methyl-4-(3-methyl-6-oxooctan-3-yl)oxybutanamide

C18H35NO3 — CID 176948728

IUPACN,2-diethyl-2-methyl-4-(3-methyl-6-oxooctan-3-yl)oxybutanamide
SMILESCCNC(=O)C(C)(CC)CCOC(C)(CC)CCC(=O)CC
InChIInChI=1S/C18H35NO3/c1-7-15(20)11-12-18(6,9-3)22-14-13-17(5,8-2)16(21)19-10-4/h7-14H2,1-6H3,(H,19,21)
InChIKeyANCOMLZONXYZKS-UHFFFAOYSA-N
MW313.48 g/mol
LogP3.87
Rot. Bonds12

About N,2-diethyl-2-methyl-4-(3-methyl-6-oxooctan-3-yl)oxybutanamide

N,2-diethyl-2-methyl-4-(3-methyl-6-oxooctan-3-yl)oxybutanamide (PubChem CID 176948728) has the molecular formula C18H35NO3 and a molecular weight of 313.48 g/mol. Its IUPAC name is N,2-diethyl-2-methyl-4-(3-methyl-6-oxooctan-3-yl)oxybutanamide.

Molecular Properties

Compound NameN,2-diethyl-2-methyl-4-(3-methyl-6-oxooctan-3-yl)oxybutanamide
PubChem CID176948728
Molecular FormulaC18H35NO3
Molecular Weight313.48 g/mol
Exact Mass313.26
IUPAC NameN,2-diethyl-2-methyl-4-(3-methyl-6-oxooctan-3-yl)oxybutanamide
SMILESCCNC(=O)C(C)(CC)CCOC(C)(CC)CCC(=O)CC
InChIInChI=1S/C18H35NO3/c1-7-15(20)11-12-18(6,9-3)22-14-13-17(5,8-2)16(21)19-10-4/h7-14H2,1-6H3,(H,19,21)
InChIKeyANCOMLZONXYZKS-UHFFFAOYSA-N
XLogP3.87
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.48
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-ethyl-2-methylbutanamide
CID 114290216
1-[4-[1-(methoxyamino)-3-methylpentan-3-yl]oxy-2-methylbutan-2-yl]oxybutan-2-one
CID 170278209
2,2-dimethyl-5-oxoheptanal
CID 10419414
2-methyl-2-(3-oxopentyl)propanedioic acid
CID 87350263
N-ethyl-2,2-dimethylheptanamide
CID 168939290
[3-(ethylamino)-2-methyl-2-(2-methylpropanoyloxymethyl)-3-oxopropyl] 2-methylpropanoate
CID 140728849
3-ethyl-3-methyl-5-[2-methyl-4-(methylamino)butan-2-yl]oxypentan-2-one
CID 142391928
ethane;N-ethyl-2,2-dimethylpropanamide
CID 142466715
2-(aminomethyl)-N-(2-ethoxy-2-methylpropyl)-2-methylbutanamide
CID 114941575
6-(3,5-dimethylhexan-2-yloxy)-6-methylheptan-3-one
CID 11265341
5-ethoxy-N-[3-methyl-3-(3,3,4-trimethylpentoxy)pentyl]pentanamide
CID 170703404
3-(3,3-dimethylpentoxy)-N-ethyl-3-methylpentan-1-amine
CID 177178732

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-2-methyl-4-(3-methyl-6-oxooctan-3-yl)oxybutanamide?
The IUPAC name of N,2-diethyl-2-methyl-4-(3-methyl-6-oxooctan-3-yl)oxybutanamide (CID 176948728) is N,2-diethyl-2-methyl-4-(3-methyl-6-oxooctan-3-yl)oxybutanamide.
What is the SMILES notation for N,2-diethyl-2-methyl-4-(3-methyl-6-oxooctan-3-yl)oxybutanamide?
The canonical SMILES for N,2-diethyl-2-methyl-4-(3-methyl-6-oxooctan-3-yl)oxybutanamide is CCNC(=O)C(C)(CC)CCOC(C)(CC)CCC(=O)CC.
What is the InChIKey of N,2-diethyl-2-methyl-4-(3-methyl-6-oxooctan-3-yl)oxybutanamide?
The InChIKey is ANCOMLZONXYZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO3/c1-7-15(20)11-12-18(6,9-3)22-14-13-17(5,8-2)16(21)19-10-4/h7-14H2,1-6H3,(H,19,21).
What are the key properties of N,2-diethyl-2-methyl-4-(3-methyl-6-oxooctan-3-yl)oxybutanamide?
N,2-diethyl-2-methyl-4-(3-methyl-6-oxooctan-3-yl)oxybutanamide has a molecular weight of 313.48 g/mol, XLogP of 3.87, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-2-methyl-4-(3-methyl-6-oxooctan-3-yl)oxybutanamide is sourced from PubChem (CID 176948728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).