N-(1-aminohexan-2-yl)-2-(3-fluoro-4-methoxyphenyl)acetamide

C15H23FN2O2 — CID 119664954

IUPACN-(1-aminohexan-2-yl)-2-(3-fluoro-4-methoxyphenyl)acetamide
SMILESCCCCC(CN)NC(=O)Cc1ccc(OC)c(F)c1
InChIInChI=1S/C15H23FN2O2/c1-3-4-5-12(10-17)18-15(19)9-11-6-7-14(20-2)13(16)8-11/h6-8,12H,3-5,9-10,17H2,1-2H3,(H,18,19)
InChIKeyFJEAYRRHKSEXAV-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.01
Rot. Bonds8

About N-(1-aminohexan-2-yl)-2-(3-fluoro-4-methoxyphenyl)acetamide

N-(1-aminohexan-2-yl)-2-(3-fluoro-4-methoxyphenyl)acetamide (PubChem CID 119664954) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-2-(3-fluoro-4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-2-(3-fluoro-4-methoxyphenyl)acetamide
PubChem CID119664954
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC NameN-(1-aminohexan-2-yl)-2-(3-fluoro-4-methoxyphenyl)acetamide
SMILESCCCCC(CN)NC(=O)Cc1ccc(OC)c(F)c1
InChIInChI=1S/C15H23FN2O2/c1-3-4-5-12(10-17)18-15(19)9-11-6-7-14(20-2)13(16)8-11/h6-8,12H,3-5,9-10,17H2,1-2H3,(H,18,19)
InChIKeyFJEAYRRHKSEXAV-UHFFFAOYSA-N
XLogP2.01
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminohexan-2-yl)-2-(3-fluoro-4-methoxyphenyl)acetamide;hydrochloride
CID 119664953
N-(1-aminohexan-2-yl)-2-(3-methoxyphenyl)acetamide;hydrochloride
CID 119664823
ethyl 2-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]propanoate
CID 47368271
(2S)-2-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]pentanoic acid
CID 107564593
N-(1-amino-3-methoxypropan-2-yl)-2-(3,4-difluorophenyl)acetamide
CID 106180111
N-(1-aminohexan-2-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 119667900
N-(1-aminopentan-3-yl)-2-(3,4-dimethoxyphenyl)acetamide
CID 62651972
N-[1-(4-chlorophenyl)propyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 18158666
N-(1-aminopentan-2-yl)-2-(3,4-dimethylphenyl)acetamide
CID 65190967
3-(3-fluoro-4-methoxyphenyl)-N-heptan-2-ylpropanamide
CID 134055920
N-(1-aminohexan-2-yl)-4-(5-bromo-2-methoxyphenyl)-4-oxobutanamide
CID 119668429
2-(3-fluoro-4-methoxyphenyl)-N-[(1R)-1-phenylethyl]acetamide
CID 9032944

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-2-(3-fluoro-4-methoxyphenyl)acetamide?
The IUPAC name of N-(1-aminohexan-2-yl)-2-(3-fluoro-4-methoxyphenyl)acetamide (CID 119664954) is N-(1-aminohexan-2-yl)-2-(3-fluoro-4-methoxyphenyl)acetamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-2-(3-fluoro-4-methoxyphenyl)acetamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-2-(3-fluoro-4-methoxyphenyl)acetamide is CCCCC(CN)NC(=O)Cc1ccc(OC)c(F)c1.
What is the InChIKey of N-(1-aminohexan-2-yl)-2-(3-fluoro-4-methoxyphenyl)acetamide?
The InChIKey is FJEAYRRHKSEXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-3-4-5-12(10-17)18-15(19)9-11-6-7-14(20-2)13(16)8-11/h6-8,12H,3-5,9-10,17H2,1-2H3,(H,18,19).
What are the key properties of N-(1-aminohexan-2-yl)-2-(3-fluoro-4-methoxyphenyl)acetamide?
N-(1-aminohexan-2-yl)-2-(3-fluoro-4-methoxyphenyl)acetamide has a molecular weight of 282.36 g/mol, XLogP of 2.01, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-2-(3-fluoro-4-methoxyphenyl)acetamide is sourced from PubChem (CID 119664954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).