(2S)-N-(2,4-dimethylpentan-3-yl)-2-(4-methoxyphenoxy)butanamide

C18H29NO3 — CID 124561337

IUPAC(2S)-N-(2,4-dimethylpentan-3-yl)-2-(4-methoxyphenoxy)butanamide
SMILESCC[C@H](Oc1ccc(OC)cc1)C(=O)NC(C(C)C)C(C)C
InChIInChI=1S/C18H29NO3/c1-7-16(18(20)19-17(12(2)3)13(4)5)22-15-10-8-14(21-6)9-11-15/h8-13,16-17H,7H2,1-6H3,(H,19,20)/t16-/m0/s1
InChIKeySVZCYOXDNXWGLI-INIZCTEOSA-N
MW307.43 g/mol
LogP3.65
Rot. Bonds8

About (2S)-N-(2,4-dimethylpentan-3-yl)-2-(4-methoxyphenoxy)butanamide

(2S)-N-(2,4-dimethylpentan-3-yl)-2-(4-methoxyphenoxy)butanamide (PubChem CID 124561337) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is (2S)-N-(2,4-dimethylpentan-3-yl)-2-(4-methoxyphenoxy)butanamide.

Molecular Properties

Compound Name(2S)-N-(2,4-dimethylpentan-3-yl)-2-(4-methoxyphenoxy)butanamide
PubChem CID124561337
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC Name(2S)-N-(2,4-dimethylpentan-3-yl)-2-(4-methoxyphenoxy)butanamide
SMILESCC[C@H](Oc1ccc(OC)cc1)C(=O)NC(C(C)C)C(C)C
InChIInChI=1S/C18H29NO3/c1-7-16(18(20)19-17(12(2)3)13(4)5)22-15-10-8-14(21-6)9-11-15/h8-13,16-17H,7H2,1-6H3,(H,19,20)/t16-/m0/s1
InChIKeySVZCYOXDNXWGLI-INIZCTEOSA-N
XLogP3.65
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenoxy)-N-(1-phenylethyl)butanamide
CID 21173396
(2R)-N-ethyl-2-(4-methoxyphenoxy)butanamide
CID 124561354
(2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-phenoxybutanamide
CID 99132910
N-[1-(4-ethoxyphenyl)ethyl]-2-(4-methoxyphenoxy)butanamide
CID 43876210
2-(4-methoxyphenoxy)-N-(3-methylbutyl)butanamide
CID 21367307
(2S)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]-2-phenoxybutanamide
CID 2243628
(2R)-N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-phenoxybutanamide
CID 2243631
N-[1-(4-methoxyphenoxy)propan-2-yl]-2-phenoxybutanamide
CID 132652458
(2R)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenoxy)butanamide
CID 28573185
2-(3-methoxyphenoxy)-N-(3-methylbutan-2-yl)butanamide
CID 133250034
(2R)-2-(4-methoxyphenoxy)-N-(4-propan-2-ylphenyl)butanamide
CID 42082581
(2R)-2-(3-methoxyphenoxy)-N-[(2R)-3-methylbutan-2-yl]butanamide
CID 100569169

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,4-dimethylpentan-3-yl)-2-(4-methoxyphenoxy)butanamide?
The IUPAC name of (2S)-N-(2,4-dimethylpentan-3-yl)-2-(4-methoxyphenoxy)butanamide (CID 124561337) is (2S)-N-(2,4-dimethylpentan-3-yl)-2-(4-methoxyphenoxy)butanamide.
What is the SMILES notation for (2S)-N-(2,4-dimethylpentan-3-yl)-2-(4-methoxyphenoxy)butanamide?
The canonical SMILES for (2S)-N-(2,4-dimethylpentan-3-yl)-2-(4-methoxyphenoxy)butanamide is CC[C@H](Oc1ccc(OC)cc1)C(=O)NC(C(C)C)C(C)C.
What is the InChIKey of (2S)-N-(2,4-dimethylpentan-3-yl)-2-(4-methoxyphenoxy)butanamide?
The InChIKey is SVZCYOXDNXWGLI-INIZCTEOSA-N. The full InChI is InChI=1S/C18H29NO3/c1-7-16(18(20)19-17(12(2)3)13(4)5)22-15-10-8-14(21-6)9-11-15/h8-13,16-17H,7H2,1-6H3,(H,19,20)/t16-/m0/s1.
What are the key properties of (2S)-N-(2,4-dimethylpentan-3-yl)-2-(4-methoxyphenoxy)butanamide?
(2S)-N-(2,4-dimethylpentan-3-yl)-2-(4-methoxyphenoxy)butanamide has a molecular weight of 307.43 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,4-dimethylpentan-3-yl)-2-(4-methoxyphenoxy)butanamide is sourced from PubChem (CID 124561337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).