N-[3-(2-aminoethyl)hexyl]-2-[(4-fluorophenyl)methoxy]acetamide

C17H27FN2O2 — CID 143299330

IUPACN-[3-(2-aminoethyl)hexyl]-2-[(4-fluorophenyl)methoxy]acetamide
SMILESCCCC(CCN)CCNC(=O)COCc1ccc(F)cc1
InChIInChI=1S/C17H27FN2O2/c1-2-3-14(8-10-19)9-11-20-17(21)13-22-12-15-4-6-16(18)7-5-15/h4-7,14H,2-3,8-13,19H2,1H3,(H,20,21)
InChIKeyIXNTZTGIHJBCGZ-UHFFFAOYSA-N
MW310.41 g/mol
LogP2.61
Rot. Bonds11

About N-[3-(2-aminoethyl)hexyl]-2-[(4-fluorophenyl)methoxy]acetamide

N-[3-(2-aminoethyl)hexyl]-2-[(4-fluorophenyl)methoxy]acetamide (PubChem CID 143299330) has the molecular formula C17H27FN2O2 and a molecular weight of 310.41 g/mol. Its IUPAC name is N-[3-(2-aminoethyl)hexyl]-2-[(4-fluorophenyl)methoxy]acetamide.

Molecular Properties

Compound NameN-[3-(2-aminoethyl)hexyl]-2-[(4-fluorophenyl)methoxy]acetamide
PubChem CID143299330
Molecular FormulaC17H27FN2O2
Molecular Weight310.41 g/mol
Exact Mass310.21
IUPAC NameN-[3-(2-aminoethyl)hexyl]-2-[(4-fluorophenyl)methoxy]acetamide
SMILESCCCC(CCN)CCNC(=O)COCc1ccc(F)cc1
InChIInChI=1S/C17H27FN2O2/c1-2-3-14(8-10-19)9-11-20-17(21)13-22-12-15-4-6-16(18)7-5-15/h4-7,14H,2-3,8-13,19H2,1H3,(H,20,21)
InChIKeyIXNTZTGIHJBCGZ-UHFFFAOYSA-N
XLogP2.61
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.41
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-fluorophenyl)methoxy]-N-(3-hydroxypropyl)acetamide
CID 58756727
2-[(4-fluorophenyl)methoxy]-N-(4-iodobutyl)acetamide
CID 58757082
N-[5-(carbamothioylamino)pentyl]-2-[(4-fluorophenyl)methoxy]acetamide
CID 86609289
N-(7-bromo-6-oxoheptyl)-2-[(4-fluorophenyl)methoxy]acetamide
CID 58756809
N-butyl-2-phenylmethoxyacetamide
CID 126717674
1-[(4-fluorophenyl)methoxy]hexan-2-one
CID 145231574
(2S)-2-hydroxy-4-[(2-phenylmethoxyacetyl)amino]butanoic acid
CID 107834653
N-[2-(4-fluorophenyl)ethyl]butanamide
CID 773504
2-acetamido-N-(2-methoxyphenyl)acetamide;N-butyl-2-[(4-fluorophenyl)methoxy]acetamide;propane
CID 143299317
N-[2-(4-fluorophenyl)ethyl]-2-methylpentanamide
CID 78770059
3-(4-fluorophenyl)-N-(3-methylbutyl)propanamide
CID 56919846
3-(2-aminoethoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 112738957

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethyl)hexyl]-2-[(4-fluorophenyl)methoxy]acetamide?
The IUPAC name of N-[3-(2-aminoethyl)hexyl]-2-[(4-fluorophenyl)methoxy]acetamide (CID 143299330) is N-[3-(2-aminoethyl)hexyl]-2-[(4-fluorophenyl)methoxy]acetamide.
What is the SMILES notation for N-[3-(2-aminoethyl)hexyl]-2-[(4-fluorophenyl)methoxy]acetamide?
The canonical SMILES for N-[3-(2-aminoethyl)hexyl]-2-[(4-fluorophenyl)methoxy]acetamide is CCCC(CCN)CCNC(=O)COCc1ccc(F)cc1.
What is the InChIKey of N-[3-(2-aminoethyl)hexyl]-2-[(4-fluorophenyl)methoxy]acetamide?
The InChIKey is IXNTZTGIHJBCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O2/c1-2-3-14(8-10-19)9-11-20-17(21)13-22-12-15-4-6-16(18)7-5-15/h4-7,14H,2-3,8-13,19H2,1H3,(H,20,21).
What are the key properties of N-[3-(2-aminoethyl)hexyl]-2-[(4-fluorophenyl)methoxy]acetamide?
N-[3-(2-aminoethyl)hexyl]-2-[(4-fluorophenyl)methoxy]acetamide has a molecular weight of 310.41 g/mol, XLogP of 2.61, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethyl)hexyl]-2-[(4-fluorophenyl)methoxy]acetamide is sourced from PubChem (CID 143299330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).