N-[4-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]phenyl]acetamide

C18H26N2O — CID 115400241

IUPACN-[4-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC2C(C)(C)[C@H]3CC[C@]2(C)C3)cc1
InChIInChI=1S/C18H26N2O/c1-12(21)19-14-5-7-15(8-6-14)20-16-17(2,3)13-9-10-18(16,4)11-13/h5-8,13,16,20H,9-11H2,1-4H3,(H,19,21)/t13-,16?,18+/m0/s1
InChIKeyKOVKSPKRKFBEHU-HDUJFRAXSA-N
MW286.42 g/mol
LogP4.27
Rot. Bonds3

About N-[4-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]phenyl]acetamide

N-[4-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]phenyl]acetamide (PubChem CID 115400241) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[4-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]phenyl]acetamide
PubChem CID115400241
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-[4-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC2C(C)(C)[C@H]3CC[C@]2(C)C3)cc1
InChIInChI=1S/C18H26N2O/c1-12(21)19-14-5-7-15(8-6-14)20-16-17(2,3)13-9-10-18(16,4)11-13/h5-8,13,16,20H,9-11H2,1-4H3,(H,19,21)/t13-,16?,18+/m0/s1
InChIKeyKOVKSPKRKFBEHU-HDUJFRAXSA-N
XLogP4.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]phenyl]acetamide (CID 115400241) is N-[4-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]phenyl]acetamide is CC(=O)Nc1ccc(NC2C(C)(C)[C@H]3CC[C@]2(C)C3)cc1.
What is the InChIKey of N-[4-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]phenyl]acetamide?
The InChIKey is KOVKSPKRKFBEHU-HDUJFRAXSA-N. The full InChI is InChI=1S/C18H26N2O/c1-12(21)19-14-5-7-15(8-6-14)20-16-17(2,3)13-9-10-18(16,4)11-13/h5-8,13,16,20H,9-11H2,1-4H3,(H,19,21)/t13-,16?,18+/m0/s1.
What are the key properties of N-[4-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]phenyl]acetamide?
N-[4-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]phenyl]acetamide has a molecular weight of 286.42 g/mol, XLogP of 4.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]phenyl]acetamide is sourced from PubChem (CID 115400241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).