N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-3-methylbutanamide

C15H22FNO2 — CID 110782111

IUPACN-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NCc1ccc(OC(C)C)c(F)c1
InChIInChI=1S/C15H22FNO2/c1-10(2)7-15(18)17-9-12-5-6-14(13(16)8-12)19-11(3)4/h5-6,8,10-11H,7,9H2,1-4H3,(H,17,18)
InChIKeyFYXJXQBNYACZIF-UHFFFAOYSA-N
MW267.34 g/mol
LogP3.28
Rot. Bonds6

About N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-3-methylbutanamide

N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-3-methylbutanamide (PubChem CID 110782111) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-3-methylbutanamide
PubChem CID110782111
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC NameN-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NCc1ccc(OC(C)C)c(F)c1
InChIInChI=1S/C15H22FNO2/c1-10(2)7-15(18)17-9-12-5-6-14(13(16)8-12)19-11(3)4/h5-6,8,10-11H,7,9H2,1-4H3,(H,17,18)
InChIKeyFYXJXQBNYACZIF-UHFFFAOYSA-N
XLogP3.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,4-difluorophenyl)methyl]-3-methylbutanamide
CID 110781014
N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-2-(5-methylthiophen-2-yl)acetamide
CID 71932817
2-[(3-fluoro-4-propan-2-yloxyphenyl)methylamino]acetic acid
CID 98784176
N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-3,4-dimethoxybenzamide
CID 110782122
N-[2-(3-fluoro-4-propan-2-yloxyphenyl)ethyl]acetamide
CID 110788935
(3-fluoro-4-propan-2-yloxyphenyl)methanol
CID 28945931
(2S)-N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 95612225
N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 56781412
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(propan-2-ylamino)acetamide
CID 115158215
3-amino-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]propanamide
CID 98784387
N-[(3,4-difluorophenyl)methyl]-2-propan-2-yloxyacetamide
CID 112686762
2-(methylamino)-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]acetamide
CID 98784381

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-3-methylbutanamide?
The IUPAC name of N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-3-methylbutanamide (CID 110782111) is N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-3-methylbutanamide.
What is the SMILES notation for N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-3-methylbutanamide?
The canonical SMILES for N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-3-methylbutanamide is CC(C)CC(=O)NCc1ccc(OC(C)C)c(F)c1.
What is the InChIKey of N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-3-methylbutanamide?
The InChIKey is FYXJXQBNYACZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-10(2)7-15(18)17-9-12-5-6-14(13(16)8-12)19-11(3)4/h5-6,8,10-11H,7,9H2,1-4H3,(H,17,18).
What are the key properties of N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-3-methylbutanamide?
N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-3-methylbutanamide has a molecular weight of 267.34 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-3-methylbutanamide is sourced from PubChem (CID 110782111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).