4-(aminomethyl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)oxane-4-carboxamide

C17H23N3O3 — CID 120931223

IUPAC4-(aminomethyl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)oxane-4-carboxamide
SMILESNCC1(C(=O)Nc2ccc3c(c2)CCCC(=O)N3)CCOCC1
InChIInChI=1S/C17H23N3O3/c18-11-17(6-8-23-9-7-17)16(22)19-13-4-5-14-12(10-13)2-1-3-15(21)20-14/h4-5,10H,1-3,6-9,11,18H2,(H,19,22)(H,20,21)
InChIKeyJZZAMRPAOXSORE-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.66
Rot. Bonds3

About 4-(aminomethyl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)oxane-4-carboxamide

4-(aminomethyl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)oxane-4-carboxamide (PubChem CID 120931223) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)oxane-4-carboxamide
PubChem CID120931223
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name4-(aminomethyl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)oxane-4-carboxamide
SMILESNCC1(C(=O)Nc2ccc3c(c2)CCCC(=O)N3)CCOCC1
InChIInChI=1S/C17H23N3O3/c18-11-17(6-8-23-9-7-17)16(22)19-13-4-5-14-12(10-13)2-1-3-15(21)20-14/h4-5,10H,1-3,6-9,11,18H2,(H,19,22)(H,20,21)
InChIKeyJZZAMRPAOXSORE-UHFFFAOYSA-N
XLogP1.66
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-(aminomethyl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)oxane-4-carboxamide with MolForge

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Related Compounds

4-(aminomethyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxane-4-carboxamide;hydrochloride
CID 120922186
1-(aminomethyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119708965
4-(aminomethyl)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)oxane-4-carboxamide
CID 120932205
4-amino-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)butanamide
CID 119318721
4-(methoxymethyl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)piperidine-4-carboxamide;hydrochloride
CID 120631048
7-amino-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)heptanamide
CID 119775274
4-(aminomethyl)-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxane-4-carboxamide;hydrochloride
CID 120925239
3-(aminomethyl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)oxetane-3-carboxamide
CID 115185496
4-(aminomethyl)-N-(4-iodophenyl)oxane-4-carboxamide
CID 113310082
1-(aminomethyl)-N-(2,3-dihydro-1-benzofuran-5-yl)cyclobutane-1-carboxamide
CID 113311600
4-methoxy-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)piperidine-4-carboxamide;hydrochloride
CID 119775305
4-[[4-(aminomethyl)oxane-4-carbonyl]amino]-2-chlorobenzoic acid
CID 115439486

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)oxane-4-carboxamide (CID 120931223) is 4-(aminomethyl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)oxane-4-carboxamide is NCC1(C(=O)Nc2ccc3c(c2)CCCC(=O)N3)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)oxane-4-carboxamide?
The InChIKey is JZZAMRPAOXSORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c18-11-17(6-8-23-9-7-17)16(22)19-13-4-5-14-12(10-13)2-1-3-15(21)20-14/h4-5,10H,1-3,6-9,11,18H2,(H,19,22)(H,20,21).
What are the key properties of 4-(aminomethyl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)oxane-4-carboxamide?
4-(aminomethyl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)oxane-4-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.66, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)oxane-4-carboxamide is sourced from PubChem (CID 120931223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).