2-[[2-(2,2-dimethyl-3,5-dihydro-1,4-benzoxazepin-4-yl)acetyl]amino]-N-methyl-2-phenylacetamide

C22H27N3O3 — CID 126811596

IUPAC2-[[2-(2,2-dimethyl-3,5-dihydro-1,4-benzoxazepin-4-yl)acetyl]amino]-N-methyl-2-phenylacetamide
SMILESCNC(=O)C(NC(=O)CN1Cc2ccccc2OC(C)(C)C1)c1ccccc1
InChIInChI=1S/C22H27N3O3/c1-22(2)15-25(13-17-11-7-8-12-18(17)28-22)14-19(26)24-20(21(27)23-3)16-9-5-4-6-10-16/h4-12,20H,13-15H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyVBDHRUHPGYGJDB-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.26
Rot. Bonds5

About 2-[[2-(2,2-dimethyl-3,5-dihydro-1,4-benzoxazepin-4-yl)acetyl]amino]-N-methyl-2-phenylacetamide

2-[[2-(2,2-dimethyl-3,5-dihydro-1,4-benzoxazepin-4-yl)acetyl]amino]-N-methyl-2-phenylacetamide (PubChem CID 126811596) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-[[2-(2,2-dimethyl-3,5-dihydro-1,4-benzoxazepin-4-yl)acetyl]amino]-N-methyl-2-phenylacetamide.

Molecular Properties

Compound Name2-[[2-(2,2-dimethyl-3,5-dihydro-1,4-benzoxazepin-4-yl)acetyl]amino]-N-methyl-2-phenylacetamide
PubChem CID126811596
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name2-[[2-(2,2-dimethyl-3,5-dihydro-1,4-benzoxazepin-4-yl)acetyl]amino]-N-methyl-2-phenylacetamide
SMILESCNC(=O)C(NC(=O)CN1Cc2ccccc2OC(C)(C)C1)c1ccccc1
InChIInChI=1S/C22H27N3O3/c1-22(2)15-25(13-17-11-7-8-12-18(17)28-22)14-19(26)24-20(21(27)23-3)16-9-5-4-6-10-16/h4-12,20H,13-15H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyVBDHRUHPGYGJDB-UHFFFAOYSA-N
XLogP2.26
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(2,2-dimethyl-3,5-dihydro-1,4-benzoxazepin-4-yl)acetyl]amino]-N-methyl-2-phenylacetamide with MolForge

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Related Compounds

N-[2-(methylamino)-2-oxo-1-phenylethyl]-3-morpholin-4-ylpropanamide
CID 91764597
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CID 78898020
(2R)-N-methyl-2-phenyl-2-[[2-(5-pyridin-4-ylpyrazol-1-yl)acetyl]amino]acetamide
CID 96998919
(2R)-N-methyl-2-[[2-(4-methylphenyl)acetyl]amino]-2-phenylacetamide
CID 71906698
(2S)-N-methyl-2-[[2-[4-[(5-methyl-1,2-oxazol-3-yl)methylidene]piperidin-1-yl]acetyl]amino]-2-phenylacetamide
CID 97069369
(2S)-N-methyl-2-[[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]amino]-2-phenylacetamide
CID 97007888
(2R)-2-[[2-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]acetyl]amino]-N-methyl-2-phenylacetamide
CID 129419077
(2R)-N-methyl-2-[[2-(2-methylprop-2-enylsulfanyl)acetyl]amino]-2-phenylacetamide
CID 97089947
N-methyl-2-[[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetyl]amino]-2-phenylacetamide
CID 87016564
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[(S)-(3-hydroxycyclobutyl)-phenylmethyl]acetamide
CID 124750124
2,2-dimethyl-4-propan-2-yl-3,5-dihydro-1,4-benzoxazepine
CID 130304754
N-methyl-2-(methylamino)-2-phenylacetamide
CID 3738076

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,2-dimethyl-3,5-dihydro-1,4-benzoxazepin-4-yl)acetyl]amino]-N-methyl-2-phenylacetamide?
The IUPAC name of 2-[[2-(2,2-dimethyl-3,5-dihydro-1,4-benzoxazepin-4-yl)acetyl]amino]-N-methyl-2-phenylacetamide (CID 126811596) is 2-[[2-(2,2-dimethyl-3,5-dihydro-1,4-benzoxazepin-4-yl)acetyl]amino]-N-methyl-2-phenylacetamide.
What is the SMILES notation for 2-[[2-(2,2-dimethyl-3,5-dihydro-1,4-benzoxazepin-4-yl)acetyl]amino]-N-methyl-2-phenylacetamide?
The canonical SMILES for 2-[[2-(2,2-dimethyl-3,5-dihydro-1,4-benzoxazepin-4-yl)acetyl]amino]-N-methyl-2-phenylacetamide is CNC(=O)C(NC(=O)CN1Cc2ccccc2OC(C)(C)C1)c1ccccc1.
What is the InChIKey of 2-[[2-(2,2-dimethyl-3,5-dihydro-1,4-benzoxazepin-4-yl)acetyl]amino]-N-methyl-2-phenylacetamide?
The InChIKey is VBDHRUHPGYGJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-22(2)15-25(13-17-11-7-8-12-18(17)28-22)14-19(26)24-20(21(27)23-3)16-9-5-4-6-10-16/h4-12,20H,13-15H2,1-3H3,(H,23,27)(H,24,26).
What are the key properties of 2-[[2-(2,2-dimethyl-3,5-dihydro-1,4-benzoxazepin-4-yl)acetyl]amino]-N-methyl-2-phenylacetamide?
2-[[2-(2,2-dimethyl-3,5-dihydro-1,4-benzoxazepin-4-yl)acetyl]amino]-N-methyl-2-phenylacetamide has a molecular weight of 381.48 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,2-dimethyl-3,5-dihydro-1,4-benzoxazepin-4-yl)acetyl]amino]-N-methyl-2-phenylacetamide is sourced from PubChem (CID 126811596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).