(7-methyl-6-oxooctyl) N-methyl-N-[6-[methyl(propan-2-yl)amino]-6-oxohexyl]carbamate

C21H40N2O4 — CID 58223916

IUPAC(7-methyl-6-oxooctyl) N-methyl-N-[6-[methyl(propan-2-yl)amino]-6-oxohexyl]carbamate
SMILESCC(C)C(=O)CCCCCOC(=O)N(C)CCCCCC(=O)N(C)C(C)C
InChIInChI=1S/C21H40N2O4/c1-17(2)19(24)13-9-8-12-16-27-21(26)22(5)15-11-7-10-14-20(25)23(6)18(3)4/h17-18H,7-16H2,1-6H3
InChIKeyMUOGZJHEVMLPIV-UHFFFAOYSA-N
MW384.56 g/mol
LogP4.27
Rot. Bonds14

About (7-methyl-6-oxooctyl) N-methyl-N-[6-[methyl(propan-2-yl)amino]-6-oxohexyl]carbamate

(7-methyl-6-oxooctyl) N-methyl-N-[6-[methyl(propan-2-yl)amino]-6-oxohexyl]carbamate (PubChem CID 58223916) has the molecular formula C21H40N2O4 and a molecular weight of 384.56 g/mol. Its IUPAC name is (7-methyl-6-oxooctyl) N-methyl-N-[6-[methyl(propan-2-yl)amino]-6-oxohexyl]carbamate.

Molecular Properties

Compound Name(7-methyl-6-oxooctyl) N-methyl-N-[6-[methyl(propan-2-yl)amino]-6-oxohexyl]carbamate
PubChem CID58223916
Molecular FormulaC21H40N2O4
Molecular Weight384.56 g/mol
Exact Mass384.30
IUPAC Name(7-methyl-6-oxooctyl) N-methyl-N-[6-[methyl(propan-2-yl)amino]-6-oxohexyl]carbamate
SMILESCC(C)C(=O)CCCCCOC(=O)N(C)CCCCCC(=O)N(C)C(C)C
InChIInChI=1S/C21H40N2O4/c1-17(2)19(24)13-9-8-12-16-27-21(26)22(5)15-11-7-10-14-20(25)23(6)18(3)4/h17-18H,7-16H2,1-6H3
InChIKeyMUOGZJHEVMLPIV-UHFFFAOYSA-N
XLogP4.27
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.56
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7-methyl-6-oxooctyl) N-methyl-N-[6-[methyl(propan-2-yl)amino]-6-oxohexyl]carbamate?
The IUPAC name of (7-methyl-6-oxooctyl) N-methyl-N-[6-[methyl(propan-2-yl)amino]-6-oxohexyl]carbamate (CID 58223916) is (7-methyl-6-oxooctyl) N-methyl-N-[6-[methyl(propan-2-yl)amino]-6-oxohexyl]carbamate.
What is the SMILES notation for (7-methyl-6-oxooctyl) N-methyl-N-[6-[methyl(propan-2-yl)amino]-6-oxohexyl]carbamate?
The canonical SMILES for (7-methyl-6-oxooctyl) N-methyl-N-[6-[methyl(propan-2-yl)amino]-6-oxohexyl]carbamate is CC(C)C(=O)CCCCCOC(=O)N(C)CCCCCC(=O)N(C)C(C)C.
What is the InChIKey of (7-methyl-6-oxooctyl) N-methyl-N-[6-[methyl(propan-2-yl)amino]-6-oxohexyl]carbamate?
The InChIKey is MUOGZJHEVMLPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N2O4/c1-17(2)19(24)13-9-8-12-16-27-21(26)22(5)15-11-7-10-14-20(25)23(6)18(3)4/h17-18H,7-16H2,1-6H3.
What are the key properties of (7-methyl-6-oxooctyl) N-methyl-N-[6-[methyl(propan-2-yl)amino]-6-oxohexyl]carbamate?
(7-methyl-6-oxooctyl) N-methyl-N-[6-[methyl(propan-2-yl)amino]-6-oxohexyl]carbamate has a molecular weight of 384.56 g/mol, XLogP of 4.27, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-6-oxooctyl) N-methyl-N-[6-[methyl(propan-2-yl)amino]-6-oxohexyl]carbamate is sourced from PubChem (CID 58223916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).