2-(4-methoxyphenoxy)-N-(2,4,4-trimethylpentan-2-yl)butanamide

C19H31NO3 — CID 133164242

IUPAC2-(4-methoxyphenoxy)-N-(2,4,4-trimethylpentan-2-yl)butanamide
SMILESCCC(Oc1ccc(OC)cc1)C(=O)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C19H31NO3/c1-8-16(23-15-11-9-14(22-7)10-12-15)17(21)20-19(5,6)13-18(2,3)4/h9-12,16H,8,13H2,1-7H3,(H,20,21)
InChIKeyLVDLNGHNYVMGDG-UHFFFAOYSA-N
MW321.46 g/mol
LogP4.18
Rot. Bonds7

About 2-(4-methoxyphenoxy)-N-(2,4,4-trimethylpentan-2-yl)butanamide

2-(4-methoxyphenoxy)-N-(2,4,4-trimethylpentan-2-yl)butanamide (PubChem CID 133164242) has the molecular formula C19H31NO3 and a molecular weight of 321.46 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-(2,4,4-trimethylpentan-2-yl)butanamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-(2,4,4-trimethylpentan-2-yl)butanamide
PubChem CID133164242
Molecular FormulaC19H31NO3
Molecular Weight321.46 g/mol
Exact Mass321.23
IUPAC Name2-(4-methoxyphenoxy)-N-(2,4,4-trimethylpentan-2-yl)butanamide
SMILESCCC(Oc1ccc(OC)cc1)C(=O)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C19H31NO3/c1-8-16(23-15-11-9-14(22-7)10-12-15)17(21)20-19(5,6)13-18(2,3)4/h9-12,16H,8,13H2,1-7H3,(H,20,21)
InChIKeyLVDLNGHNYVMGDG-UHFFFAOYSA-N
XLogP4.18
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(2,4,4-trimethylpentan-2-yl)butanamide
CID 100544397
(2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(2,4,4-trimethylpentan-2-yl)butanamide
CID 100544387
(2R)-N-ethyl-2-(4-methoxyphenoxy)butanamide
CID 124561354
(2S)-N-(2,4-dimethylpentan-3-yl)-2-(4-methoxyphenoxy)butanamide
CID 124561337
N-tert-butyl-2-(4-ethylphenoxy)butanamide
CID 53288787
2-(4-methoxyphenoxy)-N-(3-methylbutyl)butanamide
CID 21367307
4-methyl-4-(2-phenoxybutanoylamino)pentanoic acid
CID 62042624
(2R)-N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenoxy)butanamide
CID 42082643
(2S)-2-(4-methoxyphenoxy)butanoate
CID 7269180
(2R)-2-(4-methoxyphenoxy)-N-(4-propan-2-ylphenyl)butanamide
CID 42082581
(2R)-N-(4-ethoxyphenyl)-2-(4-methoxyphenoxy)butanamide
CID 42082583
2-(4-methoxyphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 21368209

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-(2,4,4-trimethylpentan-2-yl)butanamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-(2,4,4-trimethylpentan-2-yl)butanamide (CID 133164242) is 2-(4-methoxyphenoxy)-N-(2,4,4-trimethylpentan-2-yl)butanamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-(2,4,4-trimethylpentan-2-yl)butanamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-(2,4,4-trimethylpentan-2-yl)butanamide is CCC(Oc1ccc(OC)cc1)C(=O)NC(C)(C)CC(C)(C)C.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-(2,4,4-trimethylpentan-2-yl)butanamide?
The InChIKey is LVDLNGHNYVMGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO3/c1-8-16(23-15-11-9-14(22-7)10-12-15)17(21)20-19(5,6)13-18(2,3)4/h9-12,16H,8,13H2,1-7H3,(H,20,21).
What are the key properties of 2-(4-methoxyphenoxy)-N-(2,4,4-trimethylpentan-2-yl)butanamide?
2-(4-methoxyphenoxy)-N-(2,4,4-trimethylpentan-2-yl)butanamide has a molecular weight of 321.46 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-(2,4,4-trimethylpentan-2-yl)butanamide is sourced from PubChem (CID 133164242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).