N-(1-benzoyl-2,3,4,5-tetrahydro-1-benzazepin-2-yl)-2-(3-methylphenoxy)acetamide

C26H26N2O3 — CID 67672306

IUPACN-(1-benzoyl-2,3,4,5-tetrahydro-1-benzazepin-2-yl)-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)NC2CCCc3ccccc3N2C(=O)c2ccccc2)c1
InChIInChI=1S/C26H26N2O3/c1-19-9-7-14-22(17-19)31-18-25(29)27-24-16-8-13-20-10-5-6-15-23(20)28(24)26(30)21-11-3-2-4-12-21/h2-7,9-12,14-15,17,24H,8,13,16,18H2,1H3,(H,27,29)
InChIKeyWTALGXWZRLPIPF-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.50
Rot. Bonds5

About N-(1-benzoyl-2,3,4,5-tetrahydro-1-benzazepin-2-yl)-2-(3-methylphenoxy)acetamide

N-(1-benzoyl-2,3,4,5-tetrahydro-1-benzazepin-2-yl)-2-(3-methylphenoxy)acetamide (PubChem CID 67672306) has the molecular formula C26H26N2O3 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-(1-benzoyl-2,3,4,5-tetrahydro-1-benzazepin-2-yl)-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(1-benzoyl-2,3,4,5-tetrahydro-1-benzazepin-2-yl)-2-(3-methylphenoxy)acetamide
PubChem CID67672306
Molecular FormulaC26H26N2O3
Molecular Weight414.51 g/mol
Exact Mass414.19
IUPAC NameN-(1-benzoyl-2,3,4,5-tetrahydro-1-benzazepin-2-yl)-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)NC2CCCc3ccccc3N2C(=O)c2ccccc2)c1
InChIInChI=1S/C26H26N2O3/c1-19-9-7-14-22(17-19)31-18-25(29)27-24-16-8-13-20-10-5-6-15-23(20)28(24)26(30)21-11-3-2-4-12-21/h2-7,9-12,14-15,17,24H,8,13,16,18H2,1H3,(H,27,29)
InChIKeyWTALGXWZRLPIPF-UHFFFAOYSA-N
XLogP4.50
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzoyl-2,3,4,5-tetrahydro-1-benzazepin-2-yl)-2-(2,4-dimethylanilino)acetamide
CID 67673411
2-(3-methylphenoxy)-N-(1-methylpiperidin-4-yl)acetamide
CID 47114454
N-(2-benzoyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-(3-methoxyphenoxy)acetamide
CID 67673612
4-[2-[(1-benzoyl-2,3,4,5-tetrahydro-1-benzazepin-2-yl)carbamoyl]phenoxy]butyl acetate
CID 67673426
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(3-methylphenoxy)acetamide
CID 11920025
N-(4-hydroxycyclohexyl)-2-(3-methylphenoxy)acetamide
CID 17453727
2-(3,5-dimethylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2554404
2-(3-acetylphenoxy)-N-cyclohexylacetamide
CID 2708999
N-[(6R)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]-2-(3-methylphenoxy)acetamide
CID 100751893
N-methyl-3-[2-oxo-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-ylamino)ethoxy]benzamide
CID 154841683
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(3-methylphenoxy)acetamide
CID 968541
N'-[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-2-(3-methylphenoxy)acetohydrazide
CID 1120118

Frequently Asked Questions

What is the IUPAC name of N-(1-benzoyl-2,3,4,5-tetrahydro-1-benzazepin-2-yl)-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-(1-benzoyl-2,3,4,5-tetrahydro-1-benzazepin-2-yl)-2-(3-methylphenoxy)acetamide (CID 67672306) is N-(1-benzoyl-2,3,4,5-tetrahydro-1-benzazepin-2-yl)-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-(1-benzoyl-2,3,4,5-tetrahydro-1-benzazepin-2-yl)-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-(1-benzoyl-2,3,4,5-tetrahydro-1-benzazepin-2-yl)-2-(3-methylphenoxy)acetamide is Cc1cccc(OCC(=O)NC2CCCc3ccccc3N2C(=O)c2ccccc2)c1.
What is the InChIKey of N-(1-benzoyl-2,3,4,5-tetrahydro-1-benzazepin-2-yl)-2-(3-methylphenoxy)acetamide?
The InChIKey is WTALGXWZRLPIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O3/c1-19-9-7-14-22(17-19)31-18-25(29)27-24-16-8-13-20-10-5-6-15-23(20)28(24)26(30)21-11-3-2-4-12-21/h2-7,9-12,14-15,17,24H,8,13,16,18H2,1H3,(H,27,29).
What are the key properties of N-(1-benzoyl-2,3,4,5-tetrahydro-1-benzazepin-2-yl)-2-(3-methylphenoxy)acetamide?
N-(1-benzoyl-2,3,4,5-tetrahydro-1-benzazepin-2-yl)-2-(3-methylphenoxy)acetamide has a molecular weight of 414.51 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzoyl-2,3,4,5-tetrahydro-1-benzazepin-2-yl)-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 67672306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).