N-benzyl-2-(4-oxospiro[3H-chromene-2,4'-azepane]-1'-yl)acetamide

C23H26N2O3 — CID 164696517

IUPACN-benzyl-2-(4-oxospiro[3H-chromene-2,4'-azepane]-1'-yl)acetamide
SMILESO=C(CN1CCCC2(CC1)CC(=O)c1ccccc1O2)NCc1ccccc1
InChIInChI=1S/C23H26N2O3/c26-20-15-23(28-21-10-5-4-9-19(20)21)11-6-13-25(14-12-23)17-22(27)24-16-18-7-2-1-3-8-18/h1-5,7-10H,6,11-17H2,(H,24,27)
InChIKeyPLLRTMZJTGVGTQ-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.19
Rot. Bonds4

About N-benzyl-2-(4-oxospiro[3H-chromene-2,4'-azepane]-1'-yl)acetamide

N-benzyl-2-(4-oxospiro[3H-chromene-2,4'-azepane]-1'-yl)acetamide (PubChem CID 164696517) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is N-benzyl-2-(4-oxospiro[3H-chromene-2,4'-azepane]-1'-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-oxospiro[3H-chromene-2,4'-azepane]-1'-yl)acetamide
PubChem CID164696517
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC NameN-benzyl-2-(4-oxospiro[3H-chromene-2,4'-azepane]-1'-yl)acetamide
SMILESO=C(CN1CCCC2(CC1)CC(=O)c1ccccc1O2)NCc1ccccc1
InChIInChI=1S/C23H26N2O3/c26-20-15-23(28-21-10-5-4-9-19(20)21)11-6-13-25(14-12-23)17-22(27)24-16-18-7-2-1-3-8-18/h1-5,7-10H,6,11-17H2,(H,24,27)
InChIKeyPLLRTMZJTGVGTQ-UHFFFAOYSA-N
XLogP3.19
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-oxospiro[3H-chromene-2,4'-azepane]-1'-yl)acetic acid
CID 164694844
N-benzyl-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide
CID 90586068
2-[(2S)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 124843863
1'-benzylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 130157727
[2-oxo-2-(4-oxospiro[3H-chromene-2,4'-azepane]-1'-yl)ethyl]urea
CID 164695148
formic acid;methyl 5-[(4-oxospiro[3H-chromene-2,4'-azepane]-1'-yl)methyl]furan-2-carboxylate
CID 166599635
1'-(1,3-thiazol-2-ylmethyl)spiro[3H-chromene-2,4'-azepane]-4-one
CID 164693461
methyl 3-(1'-benzyl-4-oxospiro[3H-chromene-2,4'-azepane]-6-yl)prop-2-enoate
CID 77221223
2-(2',4-dioxospiro[3H-chromene-2,5'-azepane]-1'-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 44525327
3-[4-oxo-1'-(2-phenylethyl)spiro[3H-chromene-2,4'-azepane]-6-yl]prop-2-enoic acid
CID 77221147
(E)-N-hydroxy-3-[4-oxo-1'-(2-phenylethyl)spiro[3H-chromene-2,4'-azepane]-6-yl]prop-2-enamide
CID 51357275
2-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)benzoic acid
CID 7260656

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-oxospiro[3H-chromene-2,4'-azepane]-1'-yl)acetamide?
The IUPAC name of N-benzyl-2-(4-oxospiro[3H-chromene-2,4'-azepane]-1'-yl)acetamide (CID 164696517) is N-benzyl-2-(4-oxospiro[3H-chromene-2,4'-azepane]-1'-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(4-oxospiro[3H-chromene-2,4'-azepane]-1'-yl)acetamide?
The canonical SMILES for N-benzyl-2-(4-oxospiro[3H-chromene-2,4'-azepane]-1'-yl)acetamide is O=C(CN1CCCC2(CC1)CC(=O)c1ccccc1O2)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(4-oxospiro[3H-chromene-2,4'-azepane]-1'-yl)acetamide?
The InChIKey is PLLRTMZJTGVGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c26-20-15-23(28-21-10-5-4-9-19(20)21)11-6-13-25(14-12-23)17-22(27)24-16-18-7-2-1-3-8-18/h1-5,7-10H,6,11-17H2,(H,24,27).
What are the key properties of N-benzyl-2-(4-oxospiro[3H-chromene-2,4'-azepane]-1'-yl)acetamide?
N-benzyl-2-(4-oxospiro[3H-chromene-2,4'-azepane]-1'-yl)acetamide has a molecular weight of 378.47 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-oxospiro[3H-chromene-2,4'-azepane]-1'-yl)acetamide is sourced from PubChem (CID 164696517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).