2-[2-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)phenoxy]acetamide

C19H20N2O3 — CID 119125116

IUPAC2-[2-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)phenoxy]acetamide
SMILESNC(=O)COc1ccccc1C(=O)N1CCCc2ccccc2C1
InChIInChI=1S/C19H20N2O3/c20-18(22)13-24-17-10-4-3-9-16(17)19(23)21-11-5-8-14-6-1-2-7-15(14)12-21/h1-4,6-7,9-10H,5,8,11-13H2,(H2,20,22)
InChIKeyUZNUSXXHMOTLKC-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.14
Rot. Bonds4

About 2-[2-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)phenoxy]acetamide

2-[2-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)phenoxy]acetamide (PubChem CID 119125116) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-[2-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)phenoxy]acetamide
PubChem CID119125116
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name2-[2-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)phenoxy]acetamide
SMILESNC(=O)COc1ccccc1C(=O)N1CCCc2ccccc2C1
InChIInChI=1S/C19H20N2O3/c20-18(22)13-24-17-10-4-3-9-16(17)19(23)21-11-5-8-14-6-1-2-7-15(14)12-21/h1-4,6-7,9-10H,5,8,11-13H2,(H2,20,22)
InChIKeyUZNUSXXHMOTLKC-UHFFFAOYSA-N
XLogP2.14
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-hydroxyphenyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
CID 63153618
2-[2-[3-(aminomethyl)-3-hydroxyazetidine-1-carbonyl]phenoxy]acetamide
CID 167850088
(2-amino-3-chlorophenyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
CID 115540672
2-[2-(4-ethyl-4-hydroxypiperidine-1-carbonyl)phenoxy]acetamide
CID 119138250
(2-amino-5-fluorophenyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
CID 63154945
2-[2-(4-phenylmethoxypiperidine-1-carbonyl)phenoxy]acetamide
CID 120660781
2-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenoxy]acetamide
CID 119625161
methyl 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]benzoate
CID 7894206
2-[2-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenoxy]acetamide;hydrochloride
CID 119639113
(2-amino-5-chlorophenyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
CID 63155033
2-[2-(4-pyrazin-2-ylpiperazine-1-carbonyl)phenoxy]acetamide
CID 32647513
1,3,4,5-tetrahydro-2-benzazepin-2-yl-[2-(1,2,4-triazol-1-ylmethyl)phenyl]methanone
CID 166191718

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)phenoxy]acetamide?
The IUPAC name of 2-[2-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)phenoxy]acetamide (CID 119125116) is 2-[2-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)phenoxy]acetamide.
What is the SMILES notation for 2-[2-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)phenoxy]acetamide?
The canonical SMILES for 2-[2-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)phenoxy]acetamide is NC(=O)COc1ccccc1C(=O)N1CCCc2ccccc2C1.
What is the InChIKey of 2-[2-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)phenoxy]acetamide?
The InChIKey is UZNUSXXHMOTLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c20-18(22)13-24-17-10-4-3-9-16(17)19(23)21-11-5-8-14-6-1-2-7-15(14)12-21/h1-4,6-7,9-10H,5,8,11-13H2,(H2,20,22).
What are the key properties of 2-[2-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)phenoxy]acetamide?
2-[2-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)phenoxy]acetamide has a molecular weight of 324.38 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)phenoxy]acetamide is sourced from PubChem (CID 119125116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).