2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N-(3-methoxypropyl)acetamide

C14H21FN2O2 — CID 81348232

IUPAC2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN[C@H](C)c1ccc(F)cc1
InChIInChI=1S/C14H21FN2O2/c1-11(12-4-6-13(15)7-5-12)17-10-14(18)16-8-3-9-19-2/h4-7,11,17H,3,8-10H2,1-2H3,(H,16,18)/t11-/m1/s1
InChIKeyNBVZTEUUZUETOS-LLVKDONJSA-N
MW268.33 g/mol
LogP1.63
Rot. Bonds8

About 2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N-(3-methoxypropyl)acetamide

2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N-(3-methoxypropyl)acetamide (PubChem CID 81348232) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N-(3-methoxypropyl)acetamide
PubChem CID81348232
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN[C@H](C)c1ccc(F)cc1
InChIInChI=1S/C14H21FN2O2/c1-11(12-4-6-13(15)7-5-12)17-10-14(18)16-8-3-9-19-2/h4-7,11,17H,3,8-10H2,1-2H3,(H,16,18)/t11-/m1/s1
InChIKeyNBVZTEUUZUETOS-LLVKDONJSA-N
XLogP1.63
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-(4-bromophenyl)ethylamino]-N-(3-methoxypropyl)acetamide
CID 60641631
2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-N-(3-methoxypropyl)acetamide
CID 81380351
N-(3-methoxypropyl)-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]acetamide
CID 81361482
N-(2-methoxyethyl)-2-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]acetamide
CID 81371226
3-(4-fluorophenyl)-N-(4-methoxybutyl)-4-methylpentanamide
CID 110610148
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine
CID 28720966
[(1S)-1-(4-fluorophenyl)ethyl] N-(3-methoxypropyl)carbamate
CID 153458907
N-(cyclopropylmethyl)-2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]acetamide
CID 81348477
1-[1-(4-fluorophenyl)-2-methylpropyl]-3-(3-methoxypropyl)urea
CID 47139588
2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-(3-methoxypropyl)acetamide
CID 54956748
1-(4-fluorophenyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]ethanamine
CID 104561982
N-(3-methoxypropyl)-2-(4-propan-2-ylphenyl)acetamide
CID 110766794

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N-(3-methoxypropyl)acetamide (CID 81348232) is 2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CN[C@H](C)c1ccc(F)cc1.
What is the InChIKey of 2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N-(3-methoxypropyl)acetamide?
The InChIKey is NBVZTEUUZUETOS-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-11(12-4-6-13(15)7-5-12)17-10-14(18)16-8-3-9-19-2/h4-7,11,17H,3,8-10H2,1-2H3,(H,16,18)/t11-/m1/s1.
What are the key properties of 2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N-(3-methoxypropyl)acetamide?
2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N-(3-methoxypropyl)acetamide has a molecular weight of 268.33 g/mol, XLogP of 1.63, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 81348232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).