(5S)-5-methyl-N-(2-phenylethyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide;hydrochloride

C20H25ClN2O — CID 69247574

IUPAC(5S)-5-methyl-N-(2-phenylethyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide;hydrochloride
SMILESC[C@@H]1CNCCc2ccc(C(=O)NCCc3ccccc3)cc21.Cl
InChIInChI=1S/C20H24N2O.ClH/c1-15-14-21-11-10-17-7-8-18(13-19(15)17)20(23)22-12-9-16-5-3-2-4-6-16;/h2-8,13,15,21H,9-12,14H2,1H3,(H,22,23);1H/t15-;/m1./s1
InChIKeyBNWFYFMKNDAGKF-XFULWGLBSA-N
MW344.89 g/mol
LogP3.33
Rot. Bonds4

About (5S)-5-methyl-N-(2-phenylethyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide;hydrochloride

(5S)-5-methyl-N-(2-phenylethyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide;hydrochloride (PubChem CID 69247574) has the molecular formula C20H25ClN2O and a molecular weight of 344.89 g/mol. Its IUPAC name is (5S)-5-methyl-N-(2-phenylethyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide;hydrochloride.

Molecular Properties

Compound Name(5S)-5-methyl-N-(2-phenylethyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide;hydrochloride
PubChem CID69247574
Molecular FormulaC20H25ClN2O
Molecular Weight344.89 g/mol
Exact Mass344.17
IUPAC Name(5S)-5-methyl-N-(2-phenylethyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide;hydrochloride
SMILESC[C@@H]1CNCCc2ccc(C(=O)NCCc3ccccc3)cc21.Cl
InChIInChI=1S/C20H24N2O.ClH/c1-15-14-21-11-10-17-7-8-18(13-19(15)17)20(23)22-12-9-16-5-3-2-4-6-16;/h2-8,13,15,21H,9-12,14H2,1H3,(H,22,23);1H/t15-;/m1./s1
InChIKeyBNWFYFMKNDAGKF-XFULWGLBSA-N
XLogP3.33
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.89
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (5S)-5-methyl-N-(2-phenylethyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide;hydrochloride with MolForge

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Related Compounds

N-benzyl-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide
CID 11300878
(5S)-5-methyl-N-[(4-phenylphenyl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide;hydrochloride
CID 69248348
(5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-phenylmethanone;hydrochloride
CID 69248812
(5S)-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxylic acid
CID 91212770
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
N-[4-(2-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 119303511
6-oxo-N-(2-phenylethyl)-1H-pyridine-3-carboxamide
CID 2090847
2-[(2R)-2-methylpiperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 82713294
(5R)-5-methyl-7-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride
CID 69441427
4-iodo-N-(2-phenylethyl)benzamide
CID 1348743
N-(2-phenylethyl)-2-piperidin-3-ylacetamide
CID 62690707
(3aS,10bS)-2-methyl-6-oxo-N-(2-phenylethyl)-1,3,3a,4,5,10b-hexahydropyrrolo[3,4-d][2]benzazepine-8-carboxamide
CID 66821462

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-N-(2-phenylethyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide;hydrochloride?
The IUPAC name of (5S)-5-methyl-N-(2-phenylethyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide;hydrochloride (CID 69247574) is (5S)-5-methyl-N-(2-phenylethyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide;hydrochloride.
What is the SMILES notation for (5S)-5-methyl-N-(2-phenylethyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide;hydrochloride?
The canonical SMILES for (5S)-5-methyl-N-(2-phenylethyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide;hydrochloride is C[C@@H]1CNCCc2ccc(C(=O)NCCc3ccccc3)cc21.Cl.
What is the InChIKey of (5S)-5-methyl-N-(2-phenylethyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide;hydrochloride?
The InChIKey is BNWFYFMKNDAGKF-XFULWGLBSA-N. The full InChI is InChI=1S/C20H24N2O.ClH/c1-15-14-21-11-10-17-7-8-18(13-19(15)17)20(23)22-12-9-16-5-3-2-4-6-16;/h2-8,13,15,21H,9-12,14H2,1H3,(H,22,23);1H/t15-;/m1./s1.
What are the key properties of (5S)-5-methyl-N-(2-phenylethyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide;hydrochloride?
(5S)-5-methyl-N-(2-phenylethyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide;hydrochloride has a molecular weight of 344.89 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-N-(2-phenylethyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide;hydrochloride is sourced from PubChem (CID 69247574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).