6-[3-(5-amino-2-formamido-5-oxopentoxy)-6-fluoro-2-methylphenyl]hexanamide

C19H28FN3O4 — CID 155707244

IUPAC6-[3-(5-amino-2-formamido-5-oxopentoxy)-6-fluoro-2-methylphenyl]hexanamide
SMILESCc1c(OCC(CCC(N)=O)NC=O)ccc(F)c1CCCCCC(N)=O
InChIInChI=1S/C19H28FN3O4/c1-13-15(5-3-2-4-6-18(21)25)16(20)8-9-17(13)27-11-14(23-12-24)7-10-19(22)26/h8-9,12,14H,2-7,10-11H2,1H3,(H2,21,25)(H2,22,26)(H,23,24)
InChIKeyXRWFFPLBTSGOAN-UHFFFAOYSA-N
MW381.45 g/mol
LogP1.48
Rot. Bonds14

About 6-[3-(5-amino-2-formamido-5-oxopentoxy)-6-fluoro-2-methylphenyl]hexanamide

6-[3-(5-amino-2-formamido-5-oxopentoxy)-6-fluoro-2-methylphenyl]hexanamide (PubChem CID 155707244) has the molecular formula C19H28FN3O4 and a molecular weight of 381.45 g/mol. Its IUPAC name is 6-[3-(5-amino-2-formamido-5-oxopentoxy)-6-fluoro-2-methylphenyl]hexanamide.

Molecular Properties

Compound Name6-[3-(5-amino-2-formamido-5-oxopentoxy)-6-fluoro-2-methylphenyl]hexanamide
PubChem CID155707244
Molecular FormulaC19H28FN3O4
Molecular Weight381.45 g/mol
Exact Mass381.21
IUPAC Name6-[3-(5-amino-2-formamido-5-oxopentoxy)-6-fluoro-2-methylphenyl]hexanamide
SMILESCc1c(OCC(CCC(N)=O)NC=O)ccc(F)c1CCCCCC(N)=O
InChIInChI=1S/C19H28FN3O4/c1-13-15(5-3-2-4-6-18(21)25)16(20)8-9-17(13)27-11-14(23-12-24)7-10-19(22)26/h8-9,12,14H,2-7,10-11H2,1H3,(H2,21,25)(H2,22,26)(H,23,24)
InChIKeyXRWFFPLBTSGOAN-UHFFFAOYSA-N
XLogP1.48
TPSA124.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(5-amino-2-formamido-5-oxopentoxy)-6-fluoro-2-methylphenyl]hexanamide?
The IUPAC name of 6-[3-(5-amino-2-formamido-5-oxopentoxy)-6-fluoro-2-methylphenyl]hexanamide (CID 155707244) is 6-[3-(5-amino-2-formamido-5-oxopentoxy)-6-fluoro-2-methylphenyl]hexanamide.
What is the SMILES notation for 6-[3-(5-amino-2-formamido-5-oxopentoxy)-6-fluoro-2-methylphenyl]hexanamide?
The canonical SMILES for 6-[3-(5-amino-2-formamido-5-oxopentoxy)-6-fluoro-2-methylphenyl]hexanamide is Cc1c(OCC(CCC(N)=O)NC=O)ccc(F)c1CCCCCC(N)=O.
What is the InChIKey of 6-[3-(5-amino-2-formamido-5-oxopentoxy)-6-fluoro-2-methylphenyl]hexanamide?
The InChIKey is XRWFFPLBTSGOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN3O4/c1-13-15(5-3-2-4-6-18(21)25)16(20)8-9-17(13)27-11-14(23-12-24)7-10-19(22)26/h8-9,12,14H,2-7,10-11H2,1H3,(H2,21,25)(H2,22,26)(H,23,24).
What are the key properties of 6-[3-(5-amino-2-formamido-5-oxopentoxy)-6-fluoro-2-methylphenyl]hexanamide?
6-[3-(5-amino-2-formamido-5-oxopentoxy)-6-fluoro-2-methylphenyl]hexanamide has a molecular weight of 381.45 g/mol, XLogP of 1.48, 14 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(5-amino-2-formamido-5-oxopentoxy)-6-fluoro-2-methylphenyl]hexanamide is sourced from PubChem (CID 155707244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).