N-methyl-N-spiro[4,5-dihydro-3H-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl-3-(tetrazol-1-yl)propanamide

C19H26N6O2 — CID 92607634

IUPACN-methyl-N-spiro[4,5-dihydro-3H-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl-3-(tetrazol-1-yl)propanamide
SMILESCN(C(=O)CCn1cnnn1)C1CCC2(CC1)CNCc1ccccc1O2
InChIInChI=1S/C19H26N6O2/c1-24(18(26)8-11-25-14-21-22-23-25)16-6-9-19(10-7-16)13-20-12-15-4-2-3-5-17(15)27-19/h2-5,14,16,20H,6-13H2,1H3
InChIKeyXCUYBBSGZWAFDZ-UHFFFAOYSA-N
MW370.46 g/mol
LogP1.39
Rot. Bonds4

About N-methyl-N-spiro[4,5-dihydro-3H-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl-3-(tetrazol-1-yl)propanamide

N-methyl-N-spiro[4,5-dihydro-3H-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl-3-(tetrazol-1-yl)propanamide (PubChem CID 92607634) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is N-methyl-N-spiro[4,5-dihydro-3H-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl-3-(tetrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-methyl-N-spiro[4,5-dihydro-3H-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl-3-(tetrazol-1-yl)propanamide
PubChem CID92607634
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC NameN-methyl-N-spiro[4,5-dihydro-3H-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl-3-(tetrazol-1-yl)propanamide
SMILESCN(C(=O)CCn1cnnn1)C1CCC2(CC1)CNCc1ccccc1O2
InChIInChI=1S/C19H26N6O2/c1-24(18(26)8-11-25-14-21-22-23-25)16-6-9-19(10-7-16)13-20-12-15-4-2-3-5-17(15)27-19/h2-5,14,16,20H,6-13H2,1H3
InChIKeyXCUYBBSGZWAFDZ-UHFFFAOYSA-N
XLogP1.39
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-spiro[4,5-dihydro-3H-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl-3-(tetrazol-1-yl)propanamide?
The IUPAC name of N-methyl-N-spiro[4,5-dihydro-3H-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl-3-(tetrazol-1-yl)propanamide (CID 92607634) is N-methyl-N-spiro[4,5-dihydro-3H-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl-3-(tetrazol-1-yl)propanamide.
What is the SMILES notation for N-methyl-N-spiro[4,5-dihydro-3H-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl-3-(tetrazol-1-yl)propanamide?
The canonical SMILES for N-methyl-N-spiro[4,5-dihydro-3H-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl-3-(tetrazol-1-yl)propanamide is CN(C(=O)CCn1cnnn1)C1CCC2(CC1)CNCc1ccccc1O2.
What is the InChIKey of N-methyl-N-spiro[4,5-dihydro-3H-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl-3-(tetrazol-1-yl)propanamide?
The InChIKey is XCUYBBSGZWAFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-24(18(26)8-11-25-14-21-22-23-25)16-6-9-19(10-7-16)13-20-12-15-4-2-3-5-17(15)27-19/h2-5,14,16,20H,6-13H2,1H3.
What are the key properties of N-methyl-N-spiro[4,5-dihydro-3H-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl-3-(tetrazol-1-yl)propanamide?
N-methyl-N-spiro[4,5-dihydro-3H-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl-3-(tetrazol-1-yl)propanamide has a molecular weight of 370.46 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-spiro[4,5-dihydro-3H-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl-3-(tetrazol-1-yl)propanamide is sourced from PubChem (CID 92607634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).