N-[3-[(1R)-1-methoxyethyl]phenyl]-7-methyl-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide

C20H24N2O3 — CID 125458978

IUPACN-[3-[(1R)-1-methoxyethyl]phenyl]-7-methyl-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
SMILESCO[C@H](C)c1cccc(NC(=O)N2CCOc3ccc(C)cc3C2)c1
InChIInChI=1S/C20H24N2O3/c1-14-7-8-19-17(11-14)13-22(9-10-25-19)20(23)21-18-6-4-5-16(12-18)15(2)24-3/h4-8,11-12,15H,9-10,13H2,1-3H3,(H,21,23)/t15-/m1/s1
InChIKeyRNHYJSGUFSALCY-OAHLLOKOSA-N
MW340.42 g/mol
LogP4.13
Rot. Bonds3

About N-[3-[(1R)-1-methoxyethyl]phenyl]-7-methyl-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide

N-[3-[(1R)-1-methoxyethyl]phenyl]-7-methyl-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide (PubChem CID 125458978) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[3-[(1R)-1-methoxyethyl]phenyl]-7-methyl-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(1R)-1-methoxyethyl]phenyl]-7-methyl-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
PubChem CID125458978
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-[3-[(1R)-1-methoxyethyl]phenyl]-7-methyl-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
SMILESCO[C@H](C)c1cccc(NC(=O)N2CCOc3ccc(C)cc3C2)c1
InChIInChI=1S/C20H24N2O3/c1-14-7-8-19-17(11-14)13-22(9-10-25-19)20(23)21-18-6-4-5-16(12-18)15(2)24-3/h4-8,11-12,15H,9-10,13H2,1-3H3,(H,21,23)/t15-/m1/s1
InChIKeyRNHYJSGUFSALCY-OAHLLOKOSA-N
XLogP4.13
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-[(1R)-1-methoxyethyl]phenyl]-7-methyl-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide with MolForge

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Related Compounds

N-[3-[(1S)-1-methoxyethyl]phenyl]-4-thiophen-2-ylpiperazine-1-carboxamide
CID 97088860
2-amino-1-(7-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propan-1-one
CID 121203488
7-[[acetyl(methyl)amino]methyl]-N-(4-methylphenyl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
CID 90383615
N-[3-[(1S)-1-methoxyethyl]phenyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 95302089
3-(hydroxymethyl)-N-[3-(1-methoxyethyl)phenyl]piperidine-1-carboxamide
CID 110923971
6,7-dimethoxy-N-(3-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 27869928
N-(2,4-dimethylphenyl)-7-[[4-methyl-N-(2-methylpropanoyl)anilino]methyl]-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
CID 46390208
N-[3-[(1S)-1-methoxyethyl]phenyl]-4-(4-propan-2-ylpyrimidin-2-yl)piperazine-1-carboxamide
CID 99823436
7-methyl-N-(5-methyloxolan-3-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
CID 128917408
3-chloro-1-(7-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propan-1-one
CID 121203486
ethyl 4-[[7-[(4-methylphenyl)methoxymethyl]-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl]amino]benzoate
CID 50837926
2-(2-methoxyethylamino)-N-[3-(1-methoxyethyl)phenyl]acetamide;hydrochloride
CID 119768563

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1R)-1-methoxyethyl]phenyl]-7-methyl-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide?
The IUPAC name of N-[3-[(1R)-1-methoxyethyl]phenyl]-7-methyl-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide (CID 125458978) is N-[3-[(1R)-1-methoxyethyl]phenyl]-7-methyl-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide.
What is the SMILES notation for N-[3-[(1R)-1-methoxyethyl]phenyl]-7-methyl-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide?
The canonical SMILES for N-[3-[(1R)-1-methoxyethyl]phenyl]-7-methyl-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide is CO[C@H](C)c1cccc(NC(=O)N2CCOc3ccc(C)cc3C2)c1.
What is the InChIKey of N-[3-[(1R)-1-methoxyethyl]phenyl]-7-methyl-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide?
The InChIKey is RNHYJSGUFSALCY-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-14-7-8-19-17(11-14)13-22(9-10-25-19)20(23)21-18-6-4-5-16(12-18)15(2)24-3/h4-8,11-12,15H,9-10,13H2,1-3H3,(H,21,23)/t15-/m1/s1.
What are the key properties of N-[3-[(1R)-1-methoxyethyl]phenyl]-7-methyl-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide?
N-[3-[(1R)-1-methoxyethyl]phenyl]-7-methyl-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide has a molecular weight of 340.42 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1R)-1-methoxyethyl]phenyl]-7-methyl-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide is sourced from PubChem (CID 125458978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).