(4R,8R)-N,N-diethyl-1-methyl-2-oxo-8-(propylcarbamoylamino)azonane-4-carboxamide

C18H34N4O3 — CID 75411770

IUPAC(4R,8R)-N,N-diethyl-1-methyl-2-oxo-8-(propylcarbamoylamino)azonane-4-carboxamide
SMILESCCCNC(=O)N[C@@H]1CCC[C@@H](C(=O)N(CC)CC)CC(=O)N(C)C1
InChIInChI=1S/C18H34N4O3/c1-5-11-19-18(25)20-15-10-8-9-14(12-16(23)21(4)13-15)17(24)22(6-2)7-3/h14-15H,5-13H2,1-4H3,(H2,19,20,25)/t14-,15-/m1/s1
InChIKeyYQHWYZPRPGOLFX-HUUCEWRRSA-N
MW354.50 g/mol
LogP1.58
Rot. Bonds6

About (4R,8R)-N,N-diethyl-1-methyl-2-oxo-8-(propylcarbamoylamino)azonane-4-carboxamide

(4R,8R)-N,N-diethyl-1-methyl-2-oxo-8-(propylcarbamoylamino)azonane-4-carboxamide (PubChem CID 75411770) has the molecular formula C18H34N4O3 and a molecular weight of 354.50 g/mol. Its IUPAC name is (4R,8R)-N,N-diethyl-1-methyl-2-oxo-8-(propylcarbamoylamino)azonane-4-carboxamide.

Molecular Properties

Compound Name(4R,8R)-N,N-diethyl-1-methyl-2-oxo-8-(propylcarbamoylamino)azonane-4-carboxamide
PubChem CID75411770
Molecular FormulaC18H34N4O3
Molecular Weight354.50 g/mol
Exact Mass354.26
IUPAC Name(4R,8R)-N,N-diethyl-1-methyl-2-oxo-8-(propylcarbamoylamino)azonane-4-carboxamide
SMILESCCCNC(=O)N[C@@H]1CCC[C@@H](C(=O)N(CC)CC)CC(=O)N(C)C1
InChIInChI=1S/C18H34N4O3/c1-5-11-19-18(25)20-15-10-8-9-14(12-16(23)21(4)13-15)17(24)22(6-2)7-3/h14-15H,5-13H2,1-4H3,(H2,19,20,25)/t14-,15-/m1/s1
InChIKeyYQHWYZPRPGOLFX-HUUCEWRRSA-N
XLogP1.58
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R,8R)-N,N-diethyl-1-methyl-2-oxo-8-(propylcarbamoylamino)azonane-4-carboxamide?
The IUPAC name of (4R,8R)-N,N-diethyl-1-methyl-2-oxo-8-(propylcarbamoylamino)azonane-4-carboxamide (CID 75411770) is (4R,8R)-N,N-diethyl-1-methyl-2-oxo-8-(propylcarbamoylamino)azonane-4-carboxamide.
What is the SMILES notation for (4R,8R)-N,N-diethyl-1-methyl-2-oxo-8-(propylcarbamoylamino)azonane-4-carboxamide?
The canonical SMILES for (4R,8R)-N,N-diethyl-1-methyl-2-oxo-8-(propylcarbamoylamino)azonane-4-carboxamide is CCCNC(=O)N[C@@H]1CCC[C@@H](C(=O)N(CC)CC)CC(=O)N(C)C1.
What is the InChIKey of (4R,8R)-N,N-diethyl-1-methyl-2-oxo-8-(propylcarbamoylamino)azonane-4-carboxamide?
The InChIKey is YQHWYZPRPGOLFX-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H34N4O3/c1-5-11-19-18(25)20-15-10-8-9-14(12-16(23)21(4)13-15)17(24)22(6-2)7-3/h14-15H,5-13H2,1-4H3,(H2,19,20,25)/t14-,15-/m1/s1.
What are the key properties of (4R,8R)-N,N-diethyl-1-methyl-2-oxo-8-(propylcarbamoylamino)azonane-4-carboxamide?
(4R,8R)-N,N-diethyl-1-methyl-2-oxo-8-(propylcarbamoylamino)azonane-4-carboxamide has a molecular weight of 354.50 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,8R)-N,N-diethyl-1-methyl-2-oxo-8-(propylcarbamoylamino)azonane-4-carboxamide is sourced from PubChem (CID 75411770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).