N-[4-[2-[(5R)-7-chloro-5-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]cyclopropanecarboxamide

C23H33ClN2O — CID 162655294

IUPACN-[4-[2-[(5R)-7-chloro-5-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]cyclopropanecarboxamide
SMILESC[C@H]1CN(CCC2CCC(NC(=O)C3CC3)CC2)CCc2ccc(Cl)cc21
InChIInChI=1S/C23H33ClN2O/c1-16-15-26(13-11-18-6-7-20(24)14-22(16)18)12-10-17-2-8-21(9-3-17)25-23(27)19-4-5-19/h6-7,14,16-17,19,21H,2-5,8-13,15H2,1H3,(H,25,27)/t16-,17?,21?/m0/s1
InChIKeyNRCRTBZRIJXRCY-BQJIDLTASA-N
MW388.98 g/mol
LogP4.78
Rot. Bonds5

About N-[4-[2-[(5R)-7-chloro-5-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]cyclopropanecarboxamide

N-[4-[2-[(5R)-7-chloro-5-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]cyclopropanecarboxamide (PubChem CID 162655294) has the molecular formula C23H33ClN2O and a molecular weight of 388.98 g/mol. Its IUPAC name is N-[4-[2-[(5R)-7-chloro-5-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-[(5R)-7-chloro-5-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]cyclopropanecarboxamide
PubChem CID162655294
Molecular FormulaC23H33ClN2O
Molecular Weight388.98 g/mol
Exact Mass388.23
IUPAC NameN-[4-[2-[(5R)-7-chloro-5-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]cyclopropanecarboxamide
SMILESC[C@H]1CN(CCC2CCC(NC(=O)C3CC3)CC2)CCc2ccc(Cl)cc21
InChIInChI=1S/C23H33ClN2O/c1-16-15-26(13-11-18-6-7-20(24)14-22(16)18)12-10-17-2-8-21(9-3-17)25-23(27)19-4-5-19/h6-7,14,16-17,19,21H,2-5,8-13,15H2,1H3,(H,25,27)/t16-,17?,21?/m0/s1
InChIKeyNRCRTBZRIJXRCY-BQJIDLTASA-N
XLogP4.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.98
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[4-[2-[(5R)-7-chloro-5-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]cyclopropanecarboxamide with MolForge

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Related Compounds

N-[4-[2-[4-(2-chloro-4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]cyclopropanecarboxamide
CID 25018367
1-N,4-N-bis[4-[2-[(1S,8R)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl]ethyl]cyclohexyl]cyclohexane-1,4-dicarboxamide
CID 69307598
benzoic acid;(5R)-3,7-dichloro-5-methyl-1,2,4,5-tetrahydro-3-benzazepine;hydrate
CID 161121270
tert-butyl N-[4-[2-[4-(2,5-dichlorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]carbamate
CID 66627799
tert-butyl N-[4-[2-[4-(2,4-dichlorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]carbamate
CID 66628199
N-[4-[2-[4-(2,3-dichloro-4-fluorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]-2-hydroxy-2-methylpropanamide
CID 175603557
N-cyclopropyl-1-[(2,4-dichlorophenyl)methyl]pyrrolidine-3-carboxamide
CID 166602867
3-[4-[2-[(3S)-4-(2,3-dichlorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]-1,1-dimethylurea
CID 156704364
N-[4-[2-[(3R)-4-(2,3-dichlorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]-3,3-difluoroazetidine-1-carboxamide
CID 156704383
N-cyclopropyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43921942
N-[4-[2-[(3R)-4-[2-tert-butyl-6-(2-methoxyethyl)pyrimidin-4-yl]-3-methylpiperazin-1-yl]ethyl]cyclohexyl]-4-hydroxycyclohexane-1-carboxamide
CID 86269610
N-[4-[2-[4-(7-fluoro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]oxane-4-carboxamide
CID 57385676

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(5R)-7-chloro-5-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[2-[(5R)-7-chloro-5-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]cyclopropanecarboxamide (CID 162655294) is N-[4-[2-[(5R)-7-chloro-5-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[2-[(5R)-7-chloro-5-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[2-[(5R)-7-chloro-5-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]cyclopropanecarboxamide is C[C@H]1CN(CCC2CCC(NC(=O)C3CC3)CC2)CCc2ccc(Cl)cc21.
What is the InChIKey of N-[4-[2-[(5R)-7-chloro-5-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]cyclopropanecarboxamide?
The InChIKey is NRCRTBZRIJXRCY-BQJIDLTASA-N. The full InChI is InChI=1S/C23H33ClN2O/c1-16-15-26(13-11-18-6-7-20(24)14-22(16)18)12-10-17-2-8-21(9-3-17)25-23(27)19-4-5-19/h6-7,14,16-17,19,21H,2-5,8-13,15H2,1H3,(H,25,27)/t16-,17?,21?/m0/s1.
What are the key properties of N-[4-[2-[(5R)-7-chloro-5-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]cyclopropanecarboxamide?
N-[4-[2-[(5R)-7-chloro-5-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]cyclopropanecarboxamide has a molecular weight of 388.98 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(5R)-7-chloro-5-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]cyclopropanecarboxamide is sourced from PubChem (CID 162655294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).