N-methyl-N-[2-[(1'-methyl-2'-oxospiro[3,4-dihydrochromene-2,5'-azepane]-4-yl)amino]-2-oxoethyl]furan-2-carboxamide

C23H27N3O5 — CID 110212869

IUPACN-methyl-N-[2-[(1'-methyl-2'-oxospiro[3,4-dihydrochromene-2,5'-azepane]-4-yl)amino]-2-oxoethyl]furan-2-carboxamide
SMILESCN1CCC2(CCC1=O)CC(NC(=O)CN(C)C(=O)c1ccco1)c1ccccc1O2
InChIInChI=1S/C23H27N3O5/c1-25-12-11-23(10-9-21(25)28)14-17(16-6-3-4-7-18(16)31-23)24-20(27)15-26(2)22(29)19-8-5-13-30-19/h3-8,13,17H,9-12,14-15H2,1-2H3,(H,24,27)
InChIKeyBZNSYSWQKIYQHI-UHFFFAOYSA-N
MW425.49 g/mol
LogP2.37
Rot. Bonds4

About N-methyl-N-[2-[(1'-methyl-2'-oxospiro[3,4-dihydrochromene-2,5'-azepane]-4-yl)amino]-2-oxoethyl]furan-2-carboxamide

N-methyl-N-[2-[(1'-methyl-2'-oxospiro[3,4-dihydrochromene-2,5'-azepane]-4-yl)amino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 110212869) has the molecular formula C23H27N3O5 and a molecular weight of 425.49 g/mol. Its IUPAC name is N-methyl-N-[2-[(1'-methyl-2'-oxospiro[3,4-dihydrochromene-2,5'-azepane]-4-yl)amino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-[(1'-methyl-2'-oxospiro[3,4-dihydrochromene-2,5'-azepane]-4-yl)amino]-2-oxoethyl]furan-2-carboxamide
PubChem CID110212869
Molecular FormulaC23H27N3O5
Molecular Weight425.49 g/mol
Exact Mass425.20
IUPAC NameN-methyl-N-[2-[(1'-methyl-2'-oxospiro[3,4-dihydrochromene-2,5'-azepane]-4-yl)amino]-2-oxoethyl]furan-2-carboxamide
SMILESCN1CCC2(CCC1=O)CC(NC(=O)CN(C)C(=O)c1ccco1)c1ccccc1O2
InChIInChI=1S/C23H27N3O5/c1-25-12-11-23(10-9-21(25)28)14-17(16-6-3-4-7-18(16)31-23)24-20(27)15-26(2)22(29)19-8-5-13-30-19/h3-8,13,17H,9-12,14-15H2,1-2H3,(H,24,27)
InChIKeyBZNSYSWQKIYQHI-UHFFFAOYSA-N
XLogP2.37
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1'-methyl-2'-oxospiro[3,4-dihydrochromene-2,5'-azepane]-4-yl)-2-pyridin-4-ylacetamide
CID 110212852
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(2S,4R)-1'-methyl-2'-oxospiro[3,4-dihydrochromene-2,5'-azepane]-4-yl]acetamide
CID 51596542
3,5-dimethyl-N-(1'-methyl-2'-oxospiro[3,4-dihydrochromene-2,5'-azepane]-4-yl)-1,2-oxazole-4-carboxamide
CID 110212861
4-chloro-N-[(2R,4R)-1'-methyl-2'-oxospiro[3,4-dihydrochromene-2,5'-azepane]-4-yl]-1H-pyrazole-5-carboxamide
CID 51598875
3,3,3-trifluoro-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)propanamide
CID 131643090
(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-[(2S,4S)-1'-methyl-2'-oxospiro[3,4-dihydrochromene-2,5'-azepane]-4-yl]propanamide
CID 95794687
(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-[(2R,4R)-1'-methyl-2'-oxospiro[3,4-dihydrochromene-2,5'-azepane]-4-yl]propanamide
CID 124817974
N-(1'-ethyl-2'-oxospiro[3,4-dihydrochromene-2,5'-azepane]-4-yl)-2-(tetrazol-1-yl)acetamide
CID 46961198
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(4R)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 9264917
2-(2-oxopyrrolidin-1-yl)-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]acetamide
CID 99626194
N-[(4R)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-4-[(prop-2-enoylamino)methyl]benzamide
CID 124628933
N-[(2S,4S)-1'-ethyl-2'-oxospiro[3,4-dihydrochromene-2,5'-azepane]-4-yl]-4-(1,2,4-triazol-1-yl)butanamide
CID 51595179

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[(1'-methyl-2'-oxospiro[3,4-dihydrochromene-2,5'-azepane]-4-yl)amino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-methyl-N-[2-[(1'-methyl-2'-oxospiro[3,4-dihydrochromene-2,5'-azepane]-4-yl)amino]-2-oxoethyl]furan-2-carboxamide (CID 110212869) is N-methyl-N-[2-[(1'-methyl-2'-oxospiro[3,4-dihydrochromene-2,5'-azepane]-4-yl)amino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-methyl-N-[2-[(1'-methyl-2'-oxospiro[3,4-dihydrochromene-2,5'-azepane]-4-yl)amino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-methyl-N-[2-[(1'-methyl-2'-oxospiro[3,4-dihydrochromene-2,5'-azepane]-4-yl)amino]-2-oxoethyl]furan-2-carboxamide is CN1CCC2(CCC1=O)CC(NC(=O)CN(C)C(=O)c1ccco1)c1ccccc1O2.
What is the InChIKey of N-methyl-N-[2-[(1'-methyl-2'-oxospiro[3,4-dihydrochromene-2,5'-azepane]-4-yl)amino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is BZNSYSWQKIYQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5/c1-25-12-11-23(10-9-21(25)28)14-17(16-6-3-4-7-18(16)31-23)24-20(27)15-26(2)22(29)19-8-5-13-30-19/h3-8,13,17H,9-12,14-15H2,1-2H3,(H,24,27).
What are the key properties of N-methyl-N-[2-[(1'-methyl-2'-oxospiro[3,4-dihydrochromene-2,5'-azepane]-4-yl)amino]-2-oxoethyl]furan-2-carboxamide?
N-methyl-N-[2-[(1'-methyl-2'-oxospiro[3,4-dihydrochromene-2,5'-azepane]-4-yl)amino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 425.49 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[(1'-methyl-2'-oxospiro[3,4-dihydrochromene-2,5'-azepane]-4-yl)amino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 110212869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).