N-[(4-methoxyphenyl)methyl]-2-[(1R,6S)-4-oxo-3,10-diazabicyclo[4.3.1]decan-10-yl]acetamide

C18H25N3O3 — CID 11904696

IUPACN-[(4-methoxyphenyl)methyl]-2-[(1R,6S)-4-oxo-3,10-diazabicyclo[4.3.1]decan-10-yl]acetamide
SMILESCOc1ccc(CNC(=O)CN2[C@@H]3CCC[C@H]2CC(=O)NC3)cc1
InChIInChI=1S/C18H25N3O3/c1-24-16-7-5-13(6-8-16)10-19-18(23)12-21-14-3-2-4-15(21)11-20-17(22)9-14/h5-8,14-15H,2-4,9-12H2,1H3,(H,19,23)(H,20,22)/t14-,15+/m0/s1
InChIKeyZYIZYPSKGPBHPF-LSDHHAIUSA-N
MW331.42 g/mol
LogP1.05
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-2-[(1R,6S)-4-oxo-3,10-diazabicyclo[4.3.1]decan-10-yl]acetamide

N-[(4-methoxyphenyl)methyl]-2-[(1R,6S)-4-oxo-3,10-diazabicyclo[4.3.1]decan-10-yl]acetamide (PubChem CID 11904696) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-[(1R,6S)-4-oxo-3,10-diazabicyclo[4.3.1]decan-10-yl]acetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-[(1R,6S)-4-oxo-3,10-diazabicyclo[4.3.1]decan-10-yl]acetamide
PubChem CID11904696
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-[(1R,6S)-4-oxo-3,10-diazabicyclo[4.3.1]decan-10-yl]acetamide
SMILESCOc1ccc(CNC(=O)CN2[C@@H]3CCC[C@H]2CC(=O)NC3)cc1
InChIInChI=1S/C18H25N3O3/c1-24-16-7-5-13(6-8-16)10-19-18(23)12-21-14-3-2-4-15(21)11-20-17(22)9-14/h5-8,14-15H,2-4,9-12H2,1H3,(H,19,23)(H,20,22)/t14-,15+/m0/s1
InChIKeyZYIZYPSKGPBHPF-LSDHHAIUSA-N
XLogP1.05
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-[(1R,6S)-4-oxo-3,10-diazabicyclo[4.3.1]decan-10-yl]acetamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-[(1R,6S)-4-oxo-3,10-diazabicyclo[4.3.1]decan-10-yl]acetamide (CID 11904696) is N-[(4-methoxyphenyl)methyl]-2-[(1R,6S)-4-oxo-3,10-diazabicyclo[4.3.1]decan-10-yl]acetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-[(1R,6S)-4-oxo-3,10-diazabicyclo[4.3.1]decan-10-yl]acetamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-[(1R,6S)-4-oxo-3,10-diazabicyclo[4.3.1]decan-10-yl]acetamide is COc1ccc(CNC(=O)CN2[C@@H]3CCC[C@H]2CC(=O)NC3)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-[(1R,6S)-4-oxo-3,10-diazabicyclo[4.3.1]decan-10-yl]acetamide?
The InChIKey is ZYIZYPSKGPBHPF-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-24-16-7-5-13(6-8-16)10-19-18(23)12-21-14-3-2-4-15(21)11-20-17(22)9-14/h5-8,14-15H,2-4,9-12H2,1H3,(H,19,23)(H,20,22)/t14-,15+/m0/s1.
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-[(1R,6S)-4-oxo-3,10-diazabicyclo[4.3.1]decan-10-yl]acetamide?
N-[(4-methoxyphenyl)methyl]-2-[(1R,6S)-4-oxo-3,10-diazabicyclo[4.3.1]decan-10-yl]acetamide has a molecular weight of 331.42 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-[(1R,6S)-4-oxo-3,10-diazabicyclo[4.3.1]decan-10-yl]acetamide is sourced from PubChem (CID 11904696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).