N-[2-(8-methyl-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2-oxoethyl]-3-(4-methylphenyl)benzamide

C23H26N2O4 — CID 169197951

IUPACN-[2-(8-methyl-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2-oxoethyl]-3-(4-methylphenyl)benzamide
SMILESCc1ccc(-c2cccc(C(=O)NCC(=O)N3CC4(CC3C)OCCO4)c2)cc1
InChIInChI=1S/C23H26N2O4/c1-16-6-8-18(9-7-16)19-4-3-5-20(12-19)22(27)24-14-21(26)25-15-23(13-17(25)2)28-10-11-29-23/h3-9,12,17H,10-11,13-15H2,1-2H3,(H,24,27)
InChIKeyMLKLIPLJGYVCSB-UHFFFAOYSA-N
MW394.47 g/mol
LogP2.76
Rot. Bonds4

About N-[2-(8-methyl-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2-oxoethyl]-3-(4-methylphenyl)benzamide

N-[2-(8-methyl-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2-oxoethyl]-3-(4-methylphenyl)benzamide (PubChem CID 169197951) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is N-[2-(8-methyl-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2-oxoethyl]-3-(4-methylphenyl)benzamide.

Molecular Properties

Compound NameN-[2-(8-methyl-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2-oxoethyl]-3-(4-methylphenyl)benzamide
PubChem CID169197951
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC NameN-[2-(8-methyl-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2-oxoethyl]-3-(4-methylphenyl)benzamide
SMILESCc1ccc(-c2cccc(C(=O)NCC(=O)N3CC4(CC3C)OCCO4)c2)cc1
InChIInChI=1S/C23H26N2O4/c1-16-6-8-18(9-7-16)19-4-3-5-20(12-19)22(27)24-14-21(26)25-15-23(13-17(25)2)28-10-11-29-23/h3-9,12,17H,10-11,13-15H2,1-2H3,(H,24,27)
InChIKeyMLKLIPLJGYVCSB-UHFFFAOYSA-N
XLogP2.76
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(8-methyl-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2-oxoethyl]-4-(5-methylthiophen-2-yl)benzamide
CID 170962707
[(Z)-[amino-[5-[(1R)-1-[[(8S)-7-[2-[[3-(4-methylphenyl)benzoyl]amino]acetyl]-1,4-dioxa-7-azaspiro[4.4]nonane-8-carbonyl]amino]ethyl]thiophen-3-yl]methylidene]amino] acetate
CID 163225265
(8S)-7-[2-(anthracene-2-carbonylamino)acetyl]-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylic acid
CID 169198633
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-phenylbenzamide
CID 110359324
(8S)-7-[2-[(9,9-dimethylfluorene-3-carbonyl)amino]acetyl]-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylic acid
CID 169197807
methyl (8S)-7-[2-(acridine-3-carbonylamino)acetyl]-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate
CID 169198527
methyl (8S)-7-[2-[[4-(4-chloro-2-fluorophenyl)benzoyl]amino]acetyl]-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate
CID 169199394
(8S)-7-[2-[[4-(2-chloro-4-fluorophenyl)benzoyl]amino]acetyl]-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylic acid
CID 170296331
7-[2-[(4-phenoxybenzoyl)amino]acetyl]-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxamide
CID 175689140
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-3-fluorobenzamide
CID 43057717
N-[2-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-2-oxoethyl]-3-methylbenzamide
CID 94819223
3-methyl-N-[2-oxo-2-(2,5,5-trimethylmorpholin-4-yl)ethyl]benzamide
CID 86816066

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-methyl-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2-oxoethyl]-3-(4-methylphenyl)benzamide?
The IUPAC name of N-[2-(8-methyl-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2-oxoethyl]-3-(4-methylphenyl)benzamide (CID 169197951) is N-[2-(8-methyl-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2-oxoethyl]-3-(4-methylphenyl)benzamide.
What is the SMILES notation for N-[2-(8-methyl-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2-oxoethyl]-3-(4-methylphenyl)benzamide?
The canonical SMILES for N-[2-(8-methyl-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2-oxoethyl]-3-(4-methylphenyl)benzamide is Cc1ccc(-c2cccc(C(=O)NCC(=O)N3CC4(CC3C)OCCO4)c2)cc1.
What is the InChIKey of N-[2-(8-methyl-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2-oxoethyl]-3-(4-methylphenyl)benzamide?
The InChIKey is MLKLIPLJGYVCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-16-6-8-18(9-7-16)19-4-3-5-20(12-19)22(27)24-14-21(26)25-15-23(13-17(25)2)28-10-11-29-23/h3-9,12,17H,10-11,13-15H2,1-2H3,(H,24,27).
What are the key properties of N-[2-(8-methyl-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2-oxoethyl]-3-(4-methylphenyl)benzamide?
N-[2-(8-methyl-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2-oxoethyl]-3-(4-methylphenyl)benzamide has a molecular weight of 394.47 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(8-methyl-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2-oxoethyl]-3-(4-methylphenyl)benzamide is sourced from PubChem (CID 169197951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).