(17R)-5-imino-4,17-dimethyl-1-oxa-4,6-diazacycloheptadecane-2,7-dione;hydrochloride

C16H30ClN3O3 — CID 155163465

IUPAC(17R)-5-imino-4,17-dimethyl-1-oxa-4,6-diazacycloheptadecane-2,7-dione;hydrochloride
SMILESCl.[H]/N=C1\NC(=O)CCCCCCCCC[C@@H](C)OC(=O)CN1C
InChIInChI=1S/C16H29N3O3.ClH/c1-13-10-8-6-4-3-5-7-9-11-14(20)18-16(17)19(2)12-15(21)22-13;/h13H,3-12H2,1-2H3,(H2,17,18,20);1H/t13-;/m1./s1
InChIKeyXLMHRNXWGZFHDO-BTQNPOSSSA-N
MW347.89 g/mol
LogP2.85
Rot. Bonds

About (17R)-5-imino-4,17-dimethyl-1-oxa-4,6-diazacycloheptadecane-2,7-dione;hydrochloride

(17R)-5-imino-4,17-dimethyl-1-oxa-4,6-diazacycloheptadecane-2,7-dione;hydrochloride (PubChem CID 155163465) has the molecular formula C16H30ClN3O3 and a molecular weight of 347.89 g/mol. Its IUPAC name is (17R)-5-imino-4,17-dimethyl-1-oxa-4,6-diazacycloheptadecane-2,7-dione;hydrochloride.

Molecular Properties

Compound Name(17R)-5-imino-4,17-dimethyl-1-oxa-4,6-diazacycloheptadecane-2,7-dione;hydrochloride
PubChem CID155163465
Molecular FormulaC16H30ClN3O3
Molecular Weight347.89 g/mol
Exact Mass347.20
IUPAC Name(17R)-5-imino-4,17-dimethyl-1-oxa-4,6-diazacycloheptadecane-2,7-dione;hydrochloride
SMILESCl.[H]/N=C1\NC(=O)CCCCCCCCC[C@@H](C)OC(=O)CN1C
InChIInChI=1S/C16H29N3O3.ClH/c1-13-10-8-6-4-3-5-7-9-11-14(20)18-16(17)19(2)12-15(21)22-13;/h13H,3-12H2,1-2H3,(H2,17,18,20);1H/t13-;/m1./s1
InChIKeyXLMHRNXWGZFHDO-BTQNPOSSSA-N
XLogP2.85
TPSA82.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.89
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (17R)-5-imino-4,17-dimethyl-1-oxa-4,6-diazacycloheptadecane-2,7-dione;hydrochloride with MolForge

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Related Compounds

5-imino-15-methyl-4-(trideuteriomethyl)-1-oxa-4,6-diazacyclopentadecane-2,7-dione
CID 155163343
5-imino-18-methyl-4-(trideuteriomethyl)-1-oxa-4,6-diazacyclooctadecane-2,7-dione
CID 155759984
bis(17-ethyl-5-imino-4-(trideuteriomethyl)-1-oxa-4,6-diazacycloheptadecane-2,7-dione);bis(18-ethyl-5-imino-4-(trideuteriomethyl)-1-oxa-4,6-diazacyclooctadecane-2,7-dione);5-imino-17-methyl-4-(trideuteriomethyl)-1-oxa-4,6-diazacycloheptadecane-2,7-dione;bis(5-imino-18-methyl-4-(trideuteriomethyl)-1-oxa-4,6-diazacyclooctadecane-2,7-dione)
CID 165036993
5-imino-4-methyl-1-oxa-4,6-diazacyclotridecane-2,7-dione
CID 142602224
10-imino-9-methyl-6-oxa-9,11-diazaspiro[4.16]henicosane-7,12-dione
CID 155759890
17-ethyl-5-imino-4-(trideuteriomethyl)-1-oxa-4,6-diazacycloheptadecane-2,7-dione
CID 155760101
5-imino-15-propyl-4-(trideuteriomethyl)-1-oxa-4,6-diazacyclopentadecane-2,7-dione
CID 155163409
10-imino-9-methyl-2,6-dioxa-9,11-diazaspiro[4.16]henicosane-7,12-dione
CID 147085463
5-imino-16,16-dimethyl-4-(trideuteriomethyl)-1-oxa-4,6-diazacyclohexadecane-2,7-dione
CID 155163387
(15S)-15-methyl-oxacyclopentadecan-2-one
CID 86278289
(16R)-16-methyl-oxacyclohexadecan-2-one
CID 10978020
(14R)-14-methyl-oxacyclotetradecan-2-one
CID 11009676

Frequently Asked Questions

What is the IUPAC name of (17R)-5-imino-4,17-dimethyl-1-oxa-4,6-diazacycloheptadecane-2,7-dione;hydrochloride?
The IUPAC name of (17R)-5-imino-4,17-dimethyl-1-oxa-4,6-diazacycloheptadecane-2,7-dione;hydrochloride (CID 155163465) is (17R)-5-imino-4,17-dimethyl-1-oxa-4,6-diazacycloheptadecane-2,7-dione;hydrochloride.
What is the SMILES notation for (17R)-5-imino-4,17-dimethyl-1-oxa-4,6-diazacycloheptadecane-2,7-dione;hydrochloride?
The canonical SMILES for (17R)-5-imino-4,17-dimethyl-1-oxa-4,6-diazacycloheptadecane-2,7-dione;hydrochloride is Cl.[H]/N=C1\NC(=O)CCCCCCCCC[C@@H](C)OC(=O)CN1C.
What is the InChIKey of (17R)-5-imino-4,17-dimethyl-1-oxa-4,6-diazacycloheptadecane-2,7-dione;hydrochloride?
The InChIKey is XLMHRNXWGZFHDO-BTQNPOSSSA-N. The full InChI is InChI=1S/C16H29N3O3.ClH/c1-13-10-8-6-4-3-5-7-9-11-14(20)18-16(17)19(2)12-15(21)22-13;/h13H,3-12H2,1-2H3,(H2,17,18,20);1H/t13-;/m1./s1.
What are the key properties of (17R)-5-imino-4,17-dimethyl-1-oxa-4,6-diazacycloheptadecane-2,7-dione;hydrochloride?
(17R)-5-imino-4,17-dimethyl-1-oxa-4,6-diazacycloheptadecane-2,7-dione;hydrochloride has a molecular weight of 347.89 g/mol, XLogP of 2.85, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (17R)-5-imino-4,17-dimethyl-1-oxa-4,6-diazacycloheptadecane-2,7-dione;hydrochloride is sourced from PubChem (CID 155163465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).