2-(N-methyl-2-phenoxyanilino)-N-[(3R)-2-oxoazepan-3-yl]acetamide

C21H25N3O3 — CID 96998148

IUPAC2-(N-methyl-2-phenoxyanilino)-N-[(3R)-2-oxoazepan-3-yl]acetamide
SMILESCN(CC(=O)N[C@@H]1CCCCNC1=O)c1ccccc1Oc1ccccc1
InChIInChI=1S/C21H25N3O3/c1-24(15-20(25)23-17-11-7-8-14-22-21(17)26)18-12-5-6-13-19(18)27-16-9-3-2-4-10-16/h2-6,9-10,12-13,17H,7-8,11,14-15H2,1H3,(H,22,26)(H,23,25)/t17-/m1/s1
InChIKeySTRLJXCGPWBHIE-QGZVFWFLSA-N
MW367.45 g/mol
LogP2.70
Rot. Bonds6

About 2-(N-methyl-2-phenoxyanilino)-N-[(3R)-2-oxoazepan-3-yl]acetamide

2-(N-methyl-2-phenoxyanilino)-N-[(3R)-2-oxoazepan-3-yl]acetamide (PubChem CID 96998148) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-(N-methyl-2-phenoxyanilino)-N-[(3R)-2-oxoazepan-3-yl]acetamide.

Molecular Properties

Compound Name2-(N-methyl-2-phenoxyanilino)-N-[(3R)-2-oxoazepan-3-yl]acetamide
PubChem CID96998148
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name2-(N-methyl-2-phenoxyanilino)-N-[(3R)-2-oxoazepan-3-yl]acetamide
SMILESCN(CC(=O)N[C@@H]1CCCCNC1=O)c1ccccc1Oc1ccccc1
InChIInChI=1S/C21H25N3O3/c1-24(15-20(25)23-17-11-7-8-14-22-21(17)26)18-12-5-6-13-19(18)27-16-9-3-2-4-10-16/h2-6,9-10,12-13,17H,7-8,11,14-15H2,1H3,(H,22,26)(H,23,25)/t17-/m1/s1
InChIKeySTRLJXCGPWBHIE-QGZVFWFLSA-N
XLogP2.70
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl(methyl)amino]-N-[(3R)-2-oxoazepan-3-yl]acetamide
CID 94162151
2-(3,4-dimethoxy-N-methylanilino)-N-[(3S)-2-oxoazepan-3-yl]acetamide
CID 94819772
1-benzyl-1-methyl-3-(2-oxoazepan-3-yl)urea
CID 47248762
2-(2-methyl-N-methylsulfonylanilino)-N-(2-oxoazepan-3-yl)acetamide
CID 55683241
2-[(2,4-difluorophenyl)methyl-methylamino]-N-[(3S)-2-oxoazepan-3-yl]acetamide
CID 94084776
2-[methyl(methylsulfonyl)amino]-N-(2-oxoazepan-3-yl)acetamide
CID 51079705
N-[(3R)-2-oxoazepan-3-yl]-3-phenylpropanamide
CID 92861083
2-(N-acetyl-2-phenoxyanilino)-N-cycloheptylacetamide
CID 113179225
2-[methyl(thiophen-3-ylmethyl)amino]-N-[(3S)-2-oxoazepan-3-yl]acetamide
CID 94083760
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[(3S)-2-oxoazepan-3-yl]acetamide
CID 94081838
2-(N-benzylanilino)-N-(2-oxopiperidin-3-yl)acetamide
CID 75390361
1-[(2,3-dimethoxyphenyl)methyl]-1-methyl-3-[(3R)-2-oxoazepan-3-yl]urea
CID 94030528

Frequently Asked Questions

What is the IUPAC name of 2-(N-methyl-2-phenoxyanilino)-N-[(3R)-2-oxoazepan-3-yl]acetamide?
The IUPAC name of 2-(N-methyl-2-phenoxyanilino)-N-[(3R)-2-oxoazepan-3-yl]acetamide (CID 96998148) is 2-(N-methyl-2-phenoxyanilino)-N-[(3R)-2-oxoazepan-3-yl]acetamide.
What is the SMILES notation for 2-(N-methyl-2-phenoxyanilino)-N-[(3R)-2-oxoazepan-3-yl]acetamide?
The canonical SMILES for 2-(N-methyl-2-phenoxyanilino)-N-[(3R)-2-oxoazepan-3-yl]acetamide is CN(CC(=O)N[C@@H]1CCCCNC1=O)c1ccccc1Oc1ccccc1.
What is the InChIKey of 2-(N-methyl-2-phenoxyanilino)-N-[(3R)-2-oxoazepan-3-yl]acetamide?
The InChIKey is STRLJXCGPWBHIE-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-24(15-20(25)23-17-11-7-8-14-22-21(17)26)18-12-5-6-13-19(18)27-16-9-3-2-4-10-16/h2-6,9-10,12-13,17H,7-8,11,14-15H2,1H3,(H,22,26)(H,23,25)/t17-/m1/s1.
What are the key properties of 2-(N-methyl-2-phenoxyanilino)-N-[(3R)-2-oxoazepan-3-yl]acetamide?
2-(N-methyl-2-phenoxyanilino)-N-[(3R)-2-oxoazepan-3-yl]acetamide has a molecular weight of 367.45 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methyl-2-phenoxyanilino)-N-[(3R)-2-oxoazepan-3-yl]acetamide is sourced from PubChem (CID 96998148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).