N-[[(3S,6S)-1-tricyclo[4.3.1.13,8]undecanyl]methyl]acetamide

C14H23NO — CID 23308521

IUPACN-[[(3S,6S)-1-tricyclo[4.3.1.13,8]undecanyl]methyl]acetamide
SMILESCC(=O)NCC12CC3C[C@H](CC[C@@H](C3)C1)C2
InChIInChI=1S/C14H23NO/c1-10(16)15-9-14-6-11-2-3-12(7-14)5-13(4-11)8-14/h11-13H,2-9H2,1H3,(H,15,16)/t11-,12-,13?,14?/m0/s1
InChIKeySGJRCMOERMHYOG-FEPKRQSRSA-N
MW221.34 g/mol
LogP2.73
Rot. Bonds2

About N-[[(3S,6S)-1-tricyclo[4.3.1.13,8]undecanyl]methyl]acetamide

N-[[(3S,6S)-1-tricyclo[4.3.1.13,8]undecanyl]methyl]acetamide (PubChem CID 23308521) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-[[(3S,6S)-1-tricyclo[4.3.1.13,8]undecanyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(3S,6S)-1-tricyclo[4.3.1.13,8]undecanyl]methyl]acetamide
PubChem CID23308521
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-[[(3S,6S)-1-tricyclo[4.3.1.13,8]undecanyl]methyl]acetamide
SMILESCC(=O)NCC12CC3C[C@H](CC[C@@H](C3)C1)C2
InChIInChI=1S/C14H23NO/c1-10(16)15-9-14-6-11-2-3-12(7-14)5-13(4-11)8-14/h11-13H,2-9H2,1H3,(H,15,16)/t11-,12-,13?,14?/m0/s1
InChIKeySGJRCMOERMHYOG-FEPKRQSRSA-N
XLogP2.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[(3S,6S)-1-tricyclo[4.3.1.13,8]undecanyl]methyl]acetamide?
The IUPAC name of N-[[(3S,6S)-1-tricyclo[4.3.1.13,8]undecanyl]methyl]acetamide (CID 23308521) is N-[[(3S,6S)-1-tricyclo[4.3.1.13,8]undecanyl]methyl]acetamide.
What is the SMILES notation for N-[[(3S,6S)-1-tricyclo[4.3.1.13,8]undecanyl]methyl]acetamide?
The canonical SMILES for N-[[(3S,6S)-1-tricyclo[4.3.1.13,8]undecanyl]methyl]acetamide is CC(=O)NCC12CC3C[C@H](CC[C@@H](C3)C1)C2.
What is the InChIKey of N-[[(3S,6S)-1-tricyclo[4.3.1.13,8]undecanyl]methyl]acetamide?
The InChIKey is SGJRCMOERMHYOG-FEPKRQSRSA-N. The full InChI is InChI=1S/C14H23NO/c1-10(16)15-9-14-6-11-2-3-12(7-14)5-13(4-11)8-14/h11-13H,2-9H2,1H3,(H,15,16)/t11-,12-,13?,14?/m0/s1.
What are the key properties of N-[[(3S,6S)-1-tricyclo[4.3.1.13,8]undecanyl]methyl]acetamide?
N-[[(3S,6S)-1-tricyclo[4.3.1.13,8]undecanyl]methyl]acetamide has a molecular weight of 221.34 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S,6S)-1-tricyclo[4.3.1.13,8]undecanyl]methyl]acetamide is sourced from PubChem (CID 23308521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).