2-[3-amino-5-(2-methylphenyl)-2-oxo-7-phenylazepan-1-yl]-N-tert-butylacetamide

C25H33N3O2 — CID 15908914

IUPAC2-[3-amino-5-(2-methylphenyl)-2-oxo-7-phenylazepan-1-yl]-N-tert-butylacetamide
SMILESCc1ccccc1C1CC(N)C(=O)N(CC(=O)NC(C)(C)C)C(c2ccccc2)C1
InChIInChI=1S/C25H33N3O2/c1-17-10-8-9-13-20(17)19-14-21(26)24(30)28(16-23(29)27-25(2,3)4)22(15-19)18-11-6-5-7-12-18/h5-13,19,21-22H,14-16,26H2,1-4H3,(H,27,29)
InChIKeyLZXIERLFJSDLEE-UHFFFAOYSA-N
MW407.56 g/mol
LogP3.68
Rot. Bonds4

About 2-[3-amino-5-(2-methylphenyl)-2-oxo-7-phenylazepan-1-yl]-N-tert-butylacetamide

2-[3-amino-5-(2-methylphenyl)-2-oxo-7-phenylazepan-1-yl]-N-tert-butylacetamide (PubChem CID 15908914) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is 2-[3-amino-5-(2-methylphenyl)-2-oxo-7-phenylazepan-1-yl]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[3-amino-5-(2-methylphenyl)-2-oxo-7-phenylazepan-1-yl]-N-tert-butylacetamide
PubChem CID15908914
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC Name2-[3-amino-5-(2-methylphenyl)-2-oxo-7-phenylazepan-1-yl]-N-tert-butylacetamide
SMILESCc1ccccc1C1CC(N)C(=O)N(CC(=O)NC(C)(C)C)C(c2ccccc2)C1
InChIInChI=1S/C25H33N3O2/c1-17-10-8-9-13-20(17)19-14-21(26)24(30)28(16-23(29)27-25(2,3)4)22(15-19)18-11-6-5-7-12-18/h5-13,19,21-22H,14-16,26H2,1-4H3,(H,27,29)
InChIKeyLZXIERLFJSDLEE-UHFFFAOYSA-N
XLogP3.68
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-bromo-5-(2-methoxyphenyl)-2-oxo-7-phenylazepan-1-yl]-N-tert-butylacetamide
CID 54202250
2-[3-azido-5-(2-methoxyphenyl)-2-oxo-7-phenylazepan-1-yl]-N-tert-butylacetamide
CID 57223338
N-tert-butyl-2-[[3-(2-methylphenyl)cyclobutyl]amino]acetamide
CID 115355956
methyl 3-[[(3R,5R)-1-[2-(tert-butylamino)-2-oxoethyl]-5-(2-methoxyphenyl)-2-oxo-7-phenylazepan-3-yl]-carbamoylamino]benzoate
CID 67624604
N-tert-butyl-2-[3-[3-(tert-butylamino)-N-carbamoylanilino]-2-oxo-5,7-diphenylazepan-1-yl]acetamide
CID 54436253
N-tert-butyl-2-[3-[[3-(tert-butylamino)phenyl]carbamoylamino]-2-oxo-5,7-diphenylazepan-1-yl]acetamide
CID 67726038
N-tert-butyl-2-[3-(N-carbamoyl-3-methylanilino)-2-oxo-7-phenyl-5-thiophen-3-ylazepan-1-yl]acetamide
CID 54126865
N-tert-butyl-2-[2-oxo-5,7-diphenyl-3-[(3-propan-2-ylphenyl)carbamoylamino]azepan-1-yl]acetamide
CID 67726022
N-tert-butyl-2-[3-[(4-methylphenyl)carbamoylamino]-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetamide
CID 15286031
N-[3-(N-carbamoyl-2-methylanilino)-2-oxo-5,7-diphenylazepan-1-yl]-3,3-dimethylbutanamide
CID 54176444
N-tert-butyl-2-[(3-phenylcyclobutyl)amino]acetamide
CID 115356209
N-tert-butyl-2-[(3R,5R)-3-[(3-methylphenyl)carbamoylamino]-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetamide
CID 10255357

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-5-(2-methylphenyl)-2-oxo-7-phenylazepan-1-yl]-N-tert-butylacetamide?
The IUPAC name of 2-[3-amino-5-(2-methylphenyl)-2-oxo-7-phenylazepan-1-yl]-N-tert-butylacetamide (CID 15908914) is 2-[3-amino-5-(2-methylphenyl)-2-oxo-7-phenylazepan-1-yl]-N-tert-butylacetamide.
What is the SMILES notation for 2-[3-amino-5-(2-methylphenyl)-2-oxo-7-phenylazepan-1-yl]-N-tert-butylacetamide?
The canonical SMILES for 2-[3-amino-5-(2-methylphenyl)-2-oxo-7-phenylazepan-1-yl]-N-tert-butylacetamide is Cc1ccccc1C1CC(N)C(=O)N(CC(=O)NC(C)(C)C)C(c2ccccc2)C1.
What is the InChIKey of 2-[3-amino-5-(2-methylphenyl)-2-oxo-7-phenylazepan-1-yl]-N-tert-butylacetamide?
The InChIKey is LZXIERLFJSDLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-17-10-8-9-13-20(17)19-14-21(26)24(30)28(16-23(29)27-25(2,3)4)22(15-19)18-11-6-5-7-12-18/h5-13,19,21-22H,14-16,26H2,1-4H3,(H,27,29).
What are the key properties of 2-[3-amino-5-(2-methylphenyl)-2-oxo-7-phenylazepan-1-yl]-N-tert-butylacetamide?
2-[3-amino-5-(2-methylphenyl)-2-oxo-7-phenylazepan-1-yl]-N-tert-butylacetamide has a molecular weight of 407.56 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-5-(2-methylphenyl)-2-oxo-7-phenylazepan-1-yl]-N-tert-butylacetamide is sourced from PubChem (CID 15908914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).