N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,3-dimethylbutanamide

C15H22FNO2 — CID 46828553

IUPACN-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,3-dimethylbutanamide
SMILESCOc1ccc(C(C)NC(=O)CC(C)(C)C)cc1F
InChIInChI=1S/C15H22FNO2/c1-10(17-14(18)9-15(2,3)4)11-6-7-13(19-5)12(16)8-11/h6-8,10H,9H2,1-5H3,(H,17,18)
InChIKeyPDOUYYWQCIEPNE-UHFFFAOYSA-N
MW267.34 g/mol
LogP3.45
Rot. Bonds4

About N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,3-dimethylbutanamide

N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,3-dimethylbutanamide (PubChem CID 46828553) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,3-dimethylbutanamide
PubChem CID46828553
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC NameN-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,3-dimethylbutanamide
SMILESCOc1ccc(C(C)NC(=O)CC(C)(C)C)cc1F
InChIInChI=1S/C15H22FNO2/c1-10(17-14(18)9-15(2,3)4)11-6-7-13(19-5)12(16)8-11/h6-8,10H,9H2,1-5H3,(H,17,18)
InChIKeyPDOUYYWQCIEPNE-UHFFFAOYSA-N
XLogP3.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949949
5-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-3-methyl-5-oxopentanoic acid
CID 62966105
2-(2-tert-butylphenoxy)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
CID 24550111
2-(2-aminoethoxy)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
CID 79473917
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 18118290
N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-phenoxyacetamide
CID 9051371
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide
CID 46828547
N-[1-(3,4-difluorophenyl)ethyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 51275714
1-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(1-hydroxypropan-2-yl)urea
CID 110892876
2-(2-ethoxyphenoxy)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
CID 9051491
2-(2-ethoxyphenoxy)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
CID 46828544
N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-pyridin-4-ylsulfanylacetamide
CID 31732418

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,3-dimethylbutanamide (CID 46828553) is N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,3-dimethylbutanamide is COc1ccc(C(C)NC(=O)CC(C)(C)C)cc1F.
What is the InChIKey of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,3-dimethylbutanamide?
The InChIKey is PDOUYYWQCIEPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-10(17-14(18)9-15(2,3)4)11-6-7-13(19-5)12(16)8-11/h6-8,10H,9H2,1-5H3,(H,17,18).
What are the key properties of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,3-dimethylbutanamide?
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,3-dimethylbutanamide has a molecular weight of 267.34 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 46828553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).