N-benzyl-2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide

C16H21NO — CID 7732664

IUPACN-benzyl-2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
SMILESO=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NCc1ccccc1
InChIInChI=1S/C16H21NO/c18-16(17-11-12-4-2-1-3-5-12)10-15-9-13-6-7-14(15)8-13/h1-5,13-15H,6-11H2,(H,17,18)/t13-,14-,15-/m0/s1
InChIKeyVGDXBGFIFJUHJO-KKUMJFAQSA-N
MW243.35 g/mol
LogP3.13
Rot. Bonds4

About N-benzyl-2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide

N-benzyl-2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide (PubChem CID 7732664) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is N-benzyl-2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
PubChem CID7732664
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC NameN-benzyl-2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
SMILESO=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NCc1ccccc1
InChIInChI=1S/C16H21NO/c18-16(17-11-12-4-2-1-3-5-12)10-15-9-13-6-7-14(15)8-13/h1-5,13-15H,6-11H2,(H,17,18)/t13-,14-,15-/m0/s1
InChIKeyVGDXBGFIFJUHJO-KKUMJFAQSA-N
XLogP3.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 18556191
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide
CID 11938740
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 11915183
2-(2-bicyclo[2.2.1]heptanyl)-N-(2-hydroxy-3-phenylpropyl)acetamide
CID 111102449
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(2-chlorophenyl)methyl]acetamide
CID 9165301
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[(2-fluorophenyl)methyl]acetamide
CID 21174603
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 8544787
5-[[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]methyl]pyridine-2-carboxylic acid
CID 81091312
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 11929369
3-[[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]methyl]-1-benzothiophene-2-carboxylic acid
CID 166224786
2-(2-bicyclo[2.2.1]heptanyl)-N-(furan-2-ylmethyl)acetamide
CID 51160476
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 11926440

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide?
The IUPAC name of N-benzyl-2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide (CID 7732664) is N-benzyl-2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide.
What is the SMILES notation for N-benzyl-2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide?
The canonical SMILES for N-benzyl-2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide is O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide?
The InChIKey is VGDXBGFIFJUHJO-KKUMJFAQSA-N. The full InChI is InChI=1S/C16H21NO/c18-16(17-11-12-4-2-1-3-5-12)10-15-9-13-6-7-14(15)8-13/h1-5,13-15H,6-11H2,(H,17,18)/t13-,14-,15-/m0/s1.
What are the key properties of N-benzyl-2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide?
N-benzyl-2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide has a molecular weight of 243.35 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide is sourced from PubChem (CID 7732664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).