N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-(1-methoxycyclobutyl)acetamide

C16H19FN2O2 — CID 103557462

IUPACN-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-(1-methoxycyclobutyl)acetamide
SMILESCOC1(CC(=O)Nc2ccc(F)cc2C#CCN)CCC1
InChIInChI=1S/C16H19FN2O2/c1-21-16(7-3-8-16)11-15(20)19-14-6-5-13(17)10-12(14)4-2-9-18/h5-6,10H,3,7-9,11,18H2,1H3,(H,19,20)
InChIKeyWOYGFEGOBXZWIM-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.03
Rot. Bonds4

About N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-(1-methoxycyclobutyl)acetamide

N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-(1-methoxycyclobutyl)acetamide (PubChem CID 103557462) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-(1-methoxycyclobutyl)acetamide.

Molecular Properties

Compound NameN-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-(1-methoxycyclobutyl)acetamide
PubChem CID103557462
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC NameN-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-(1-methoxycyclobutyl)acetamide
SMILESCOC1(CC(=O)Nc2ccc(F)cc2C#CCN)CCC1
InChIInChI=1S/C16H19FN2O2/c1-21-16(7-3-8-16)11-15(20)19-14-6-5-13(17)10-12(14)4-2-9-18/h5-6,10H,3,7-9,11,18H2,1H3,(H,19,20)
InChIKeyWOYGFEGOBXZWIM-UHFFFAOYSA-N
XLogP2.03
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]carbamate
CID 60814781
N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2,2-dimethylpropanamide
CID 60814903
N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103209955
N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]cycloheptanecarboxamide
CID 62589276
3-fluoro-4-[[2-(1-methoxycyclobutyl)acetyl]amino]benzoic acid
CID 103555628
N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-methyloxolane-3-carboxamide
CID 79762974
N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]thiophene-2-carboxamide
CID 60813557
N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-oxopyrrolidine-2-carboxamide
CID 60814898
4-[[2-(1-methoxycyclobutyl)acetyl]amino]-3-methylbenzoic acid
CID 103555498
N-(3-fluoro-4-hydroxyphenyl)-2-(1-methoxycyclobutyl)acetamide
CID 103557015
N-[4-(3-hydroxyprop-1-ynyl)phenyl]-2-(1-methoxycyclobutyl)acetamide
CID 103557419
N-(3,4-dicyanophenyl)-2-(1-methoxycyclobutyl)acetamide
CID 103522079

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-(1-methoxycyclobutyl)acetamide?
The IUPAC name of N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-(1-methoxycyclobutyl)acetamide (CID 103557462) is N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-(1-methoxycyclobutyl)acetamide.
What is the SMILES notation for N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-(1-methoxycyclobutyl)acetamide?
The canonical SMILES for N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-(1-methoxycyclobutyl)acetamide is COC1(CC(=O)Nc2ccc(F)cc2C#CCN)CCC1.
What is the InChIKey of N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-(1-methoxycyclobutyl)acetamide?
The InChIKey is WOYGFEGOBXZWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-21-16(7-3-8-16)11-15(20)19-14-6-5-13(17)10-12(14)4-2-9-18/h5-6,10H,3,7-9,11,18H2,1H3,(H,19,20).
What are the key properties of N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-(1-methoxycyclobutyl)acetamide?
N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-(1-methoxycyclobutyl)acetamide has a molecular weight of 290.34 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-(1-methoxycyclobutyl)acetamide is sourced from PubChem (CID 103557462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).