13-amino-5,12-dimethyl-2-propan-2-yl-1-oxa-4-azacyclotetradecane-3,6,14-trione

C17H30N2O4 — CID 58766586

IUPAC13-amino-5,12-dimethyl-2-propan-2-yl-1-oxa-4-azacyclotetradecane-3,6,14-trione
SMILESCC1NC(=O)C(C(C)C)OC(=O)C(N)C(C)CCCCCC1=O
InChIInChI=1S/C17H30N2O4/c1-10(2)15-16(21)19-12(4)13(20)9-7-5-6-8-11(3)14(18)17(22)23-15/h10-12,14-15H,5-9,18H2,1-4H3,(H,19,21)
InChIKeySIVRLIGVCBAESI-UHFFFAOYSA-N
MW326.44 g/mol
LogP1.56
Rot. Bonds1

About 13-amino-5,12-dimethyl-2-propan-2-yl-1-oxa-4-azacyclotetradecane-3,6,14-trione

13-amino-5,12-dimethyl-2-propan-2-yl-1-oxa-4-azacyclotetradecane-3,6,14-trione (PubChem CID 58766586) has the molecular formula C17H30N2O4 and a molecular weight of 326.44 g/mol. Its IUPAC name is 13-amino-5,12-dimethyl-2-propan-2-yl-1-oxa-4-azacyclotetradecane-3,6,14-trione.

Molecular Properties

Compound Name13-amino-5,12-dimethyl-2-propan-2-yl-1-oxa-4-azacyclotetradecane-3,6,14-trione
PubChem CID58766586
Molecular FormulaC17H30N2O4
Molecular Weight326.44 g/mol
Exact Mass326.22
IUPAC Name13-amino-5,12-dimethyl-2-propan-2-yl-1-oxa-4-azacyclotetradecane-3,6,14-trione
SMILESCC1NC(=O)C(C(C)C)OC(=O)C(N)C(C)CCCCCC1=O
InChIInChI=1S/C17H30N2O4/c1-10(2)15-16(21)19-12(4)13(20)9-7-5-6-8-11(3)14(18)17(22)23-15/h10-12,14-15H,5-9,18H2,1-4H3,(H,19,21)
InChIKeySIVRLIGVCBAESI-UHFFFAOYSA-N
XLogP1.56
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 13-amino-5,12-dimethyl-2-propan-2-yl-1-oxa-4-azacyclotetradecane-3,6,14-trione?
The IUPAC name of 13-amino-5,12-dimethyl-2-propan-2-yl-1-oxa-4-azacyclotetradecane-3,6,14-trione (CID 58766586) is 13-amino-5,12-dimethyl-2-propan-2-yl-1-oxa-4-azacyclotetradecane-3,6,14-trione.
What is the SMILES notation for 13-amino-5,12-dimethyl-2-propan-2-yl-1-oxa-4-azacyclotetradecane-3,6,14-trione?
The canonical SMILES for 13-amino-5,12-dimethyl-2-propan-2-yl-1-oxa-4-azacyclotetradecane-3,6,14-trione is CC1NC(=O)C(C(C)C)OC(=O)C(N)C(C)CCCCCC1=O.
What is the InChIKey of 13-amino-5,12-dimethyl-2-propan-2-yl-1-oxa-4-azacyclotetradecane-3,6,14-trione?
The InChIKey is SIVRLIGVCBAESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O4/c1-10(2)15-16(21)19-12(4)13(20)9-7-5-6-8-11(3)14(18)17(22)23-15/h10-12,14-15H,5-9,18H2,1-4H3,(H,19,21).
What are the key properties of 13-amino-5,12-dimethyl-2-propan-2-yl-1-oxa-4-azacyclotetradecane-3,6,14-trione?
13-amino-5,12-dimethyl-2-propan-2-yl-1-oxa-4-azacyclotetradecane-3,6,14-trione has a molecular weight of 326.44 g/mol, XLogP of 1.56, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 13-amino-5,12-dimethyl-2-propan-2-yl-1-oxa-4-azacyclotetradecane-3,6,14-trione is sourced from PubChem (CID 58766586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).