N,N-dimethyl-2-[(1R,5S)-8-oxo-2-propyl-2,7-diazabicyclo[3.3.1]nonan-7-yl]acetamide

C14H25N3O2 — CID 146118084

IUPACN,N-dimethyl-2-[(1R,5S)-8-oxo-2-propyl-2,7-diazabicyclo[3.3.1]nonan-7-yl]acetamide
SMILESCCCN1CC[C@H]2C[C@@H]1C(=O)N(CC(=O)N(C)C)C2
InChIInChI=1S/C14H25N3O2/c1-4-6-16-7-5-11-8-12(16)14(19)17(9-11)10-13(18)15(2)3/h11-12H,4-10H2,1-3H3/t11-,12+/m0/s1
InChIKeyZMHMZUODBWXUOW-NWDGAFQWSA-N
MW267.37 g/mol
LogP0.41
Rot. Bonds4

About N,N-dimethyl-2-[(1R,5S)-8-oxo-2-propyl-2,7-diazabicyclo[3.3.1]nonan-7-yl]acetamide

N,N-dimethyl-2-[(1R,5S)-8-oxo-2-propyl-2,7-diazabicyclo[3.3.1]nonan-7-yl]acetamide (PubChem CID 146118084) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is N,N-dimethyl-2-[(1R,5S)-8-oxo-2-propyl-2,7-diazabicyclo[3.3.1]nonan-7-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(1R,5S)-8-oxo-2-propyl-2,7-diazabicyclo[3.3.1]nonan-7-yl]acetamide
PubChem CID146118084
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC NameN,N-dimethyl-2-[(1R,5S)-8-oxo-2-propyl-2,7-diazabicyclo[3.3.1]nonan-7-yl]acetamide
SMILESCCCN1CC[C@H]2C[C@@H]1C(=O)N(CC(=O)N(C)C)C2
InChIInChI=1S/C14H25N3O2/c1-4-6-16-7-5-11-8-12(16)14(19)17(9-11)10-13(18)15(2)3/h11-12H,4-10H2,1-3H3/t11-,12+/m0/s1
InChIKeyZMHMZUODBWXUOW-NWDGAFQWSA-N
XLogP0.41
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(1R,5S)-8-oxo-2-propyl-2,7-diazabicyclo[3.3.1]nonan-7-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[(1R,5S)-8-oxo-2-propyl-2,7-diazabicyclo[3.3.1]nonan-7-yl]acetamide (CID 146118084) is N,N-dimethyl-2-[(1R,5S)-8-oxo-2-propyl-2,7-diazabicyclo[3.3.1]nonan-7-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[(1R,5S)-8-oxo-2-propyl-2,7-diazabicyclo[3.3.1]nonan-7-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[(1R,5S)-8-oxo-2-propyl-2,7-diazabicyclo[3.3.1]nonan-7-yl]acetamide is CCCN1CC[C@H]2C[C@@H]1C(=O)N(CC(=O)N(C)C)C2.
What is the InChIKey of N,N-dimethyl-2-[(1R,5S)-8-oxo-2-propyl-2,7-diazabicyclo[3.3.1]nonan-7-yl]acetamide?
The InChIKey is ZMHMZUODBWXUOW-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-4-6-16-7-5-11-8-12(16)14(19)17(9-11)10-13(18)15(2)3/h11-12H,4-10H2,1-3H3/t11-,12+/m0/s1.
What are the key properties of N,N-dimethyl-2-[(1R,5S)-8-oxo-2-propyl-2,7-diazabicyclo[3.3.1]nonan-7-yl]acetamide?
N,N-dimethyl-2-[(1R,5S)-8-oxo-2-propyl-2,7-diazabicyclo[3.3.1]nonan-7-yl]acetamide has a molecular weight of 267.37 g/mol, XLogP of 0.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(1R,5S)-8-oxo-2-propyl-2,7-diazabicyclo[3.3.1]nonan-7-yl]acetamide is sourced from PubChem (CID 146118084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).