N-benzyl-2-(4-fluorophenoxy)-N-[3-[(2-oxochromen-4-yl)amino]propyl]acetamide

C27H25FN2O4 — CID 30343292

IUPACN-benzyl-2-(4-fluorophenoxy)-N-[3-[(2-oxochromen-4-yl)amino]propyl]acetamide
SMILESO=C(COc1ccc(F)cc1)N(CCCNc1cc(=O)oc2ccccc12)Cc1ccccc1
InChIInChI=1S/C27H25FN2O4/c28-21-11-13-22(14-12-21)33-19-26(31)30(18-20-7-2-1-3-8-20)16-6-15-29-24-17-27(32)34-25-10-5-4-9-23(24)25/h1-5,7-14,17,29H,6,15-16,18-19H2
InChIKeyFTRFIGBRUJHWQW-UHFFFAOYSA-N
MW460.51 g/mol
LogP4.84
Rot. Bonds10

About N-benzyl-2-(4-fluorophenoxy)-N-[3-[(2-oxochromen-4-yl)amino]propyl]acetamide

N-benzyl-2-(4-fluorophenoxy)-N-[3-[(2-oxochromen-4-yl)amino]propyl]acetamide (PubChem CID 30343292) has the molecular formula C27H25FN2O4 and a molecular weight of 460.51 g/mol. Its IUPAC name is N-benzyl-2-(4-fluorophenoxy)-N-[3-[(2-oxochromen-4-yl)amino]propyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-fluorophenoxy)-N-[3-[(2-oxochromen-4-yl)amino]propyl]acetamide
PubChem CID30343292
Molecular FormulaC27H25FN2O4
Molecular Weight460.51 g/mol
Exact Mass460.18
IUPAC NameN-benzyl-2-(4-fluorophenoxy)-N-[3-[(2-oxochromen-4-yl)amino]propyl]acetamide
SMILESO=C(COc1ccc(F)cc1)N(CCCNc1cc(=O)oc2ccccc12)Cc1ccccc1
InChIInChI=1S/C27H25FN2O4/c28-21-11-13-22(14-12-21)33-19-26(31)30(18-20-7-2-1-3-8-20)16-6-15-29-24-17-27(32)34-25-10-5-4-9-23(24)25/h1-5,7-14,17,29H,6,15-16,18-19H2
InChIKeyFTRFIGBRUJHWQW-UHFFFAOYSA-N
XLogP4.84
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.51
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-(2-nitrophenoxy)-N-[3-[(2-oxochromen-4-yl)amino]propyl]acetamide
CID 30343311
N-benzyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]hexanamide
CID 30343425
N-benzyl-2-methoxy-3-methyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]benzamide
CID 30343461
N-benzyl-2-[4-(4-fluorobenzoyl)phenoxy]-N-(2-methoxyethyl)acetamide
CID 9289798
N,4-dimethyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]pentanamide
CID 30343078
N-(3-aminopropyl)-N-benzyl-2-phenoxyacetamide;hydrochloride
CID 120649017
N-(3-aminopropyl)-N-benzyl-2-(4-chlorophenoxy)acetamide
CID 120649279
N-methyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]-4-propan-2-ylbenzamide
CID 30342817
[4-[[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate
CID 5224123
N-benzyl-N-(2-bromoethyl)-2-phenoxyacetamide
CID 80633118
4-(2-aminoethylamino)chromen-2-one
CID 119085544
[4-[[2-(dimethylamino)ethyl-(2-phenoxyacetyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate
CID 46111008

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-fluorophenoxy)-N-[3-[(2-oxochromen-4-yl)amino]propyl]acetamide?
The IUPAC name of N-benzyl-2-(4-fluorophenoxy)-N-[3-[(2-oxochromen-4-yl)amino]propyl]acetamide (CID 30343292) is N-benzyl-2-(4-fluorophenoxy)-N-[3-[(2-oxochromen-4-yl)amino]propyl]acetamide.
What is the SMILES notation for N-benzyl-2-(4-fluorophenoxy)-N-[3-[(2-oxochromen-4-yl)amino]propyl]acetamide?
The canonical SMILES for N-benzyl-2-(4-fluorophenoxy)-N-[3-[(2-oxochromen-4-yl)amino]propyl]acetamide is O=C(COc1ccc(F)cc1)N(CCCNc1cc(=O)oc2ccccc12)Cc1ccccc1.
What is the InChIKey of N-benzyl-2-(4-fluorophenoxy)-N-[3-[(2-oxochromen-4-yl)amino]propyl]acetamide?
The InChIKey is FTRFIGBRUJHWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN2O4/c28-21-11-13-22(14-12-21)33-19-26(31)30(18-20-7-2-1-3-8-20)16-6-15-29-24-17-27(32)34-25-10-5-4-9-23(24)25/h1-5,7-14,17,29H,6,15-16,18-19H2.
What are the key properties of N-benzyl-2-(4-fluorophenoxy)-N-[3-[(2-oxochromen-4-yl)amino]propyl]acetamide?
N-benzyl-2-(4-fluorophenoxy)-N-[3-[(2-oxochromen-4-yl)amino]propyl]acetamide has a molecular weight of 460.51 g/mol, XLogP of 4.84, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-fluorophenoxy)-N-[3-[(2-oxochromen-4-yl)amino]propyl]acetamide is sourced from PubChem (CID 30343292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).