N-benzhydryl-2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-methylacetamide

C23H27NO — CID 21174649

IUPACN-benzhydryl-2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-methylacetamide
SMILESCN(C(=O)C[C@@H]1C[C@@H]2CC[C@@H]1C2)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H27NO/c1-24(22(25)16-21-15-17-12-13-20(21)14-17)23(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,17,20-21,23H,12-16H2,1H3/t17-,20-,21+/m1/s1
InChIKeyWCMOUGVFBQNLJW-UIFIKXQLSA-N
MW333.48 g/mol
LogP5.06
Rot. Bonds5

About N-benzhydryl-2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-methylacetamide

N-benzhydryl-2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-methylacetamide (PubChem CID 21174649) has the molecular formula C23H27NO and a molecular weight of 333.48 g/mol. Its IUPAC name is N-benzhydryl-2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-methylacetamide.

Molecular Properties

Compound NameN-benzhydryl-2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-methylacetamide
PubChem CID21174649
Molecular FormulaC23H27NO
Molecular Weight333.48 g/mol
Exact Mass333.21
IUPAC NameN-benzhydryl-2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-methylacetamide
SMILESCN(C(=O)C[C@@H]1C[C@@H]2CC[C@@H]1C2)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H27NO/c1-24(22(25)16-21-15-17-12-13-20(21)14-17)23(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,17,20-21,23H,12-16H2,1H3/t17-,20-,21+/m1/s1
InChIKeyWCMOUGVFBQNLJW-UIFIKXQLSA-N
XLogP5.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.48
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-N,N-dimethylacetamide
CID 42910279
N-[(4-fluorophenyl)-phenylmethyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 71899779
(1S,2S,4S)-N-[(S)-(4-fluorophenyl)-phenylmethyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 98785707
2-(2-bicyclo[2.2.1]heptanyl)-N-(3-hydroxyphenyl)-N-methylacetamide
CID 107736090
2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chloro-1-phenylethyl)acetamide
CID 114300183
3-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-2-phenylpropanoic acid
CID 119254834
N-(2-aminophenyl)-2-(2-bicyclo[2.2.1]heptanyl)-N-ethylacetamide
CID 62102464
1-(2-bicyclo[2.2.1]heptanyl)-3-phenylbutan-2-ol
CID 79557822
2-(2-bicyclo[2.2.1]heptanyl)-N-[4-(N-propan-2-ylanilino)phenyl]acetamide
CID 3911169
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide
CID 98752000
2-(2-bicyclo[2.2.1]heptanyl)-1-(1-phenylcyclobutyl)ethanone
CID 79561425
2-(2-bicyclo[2.2.1]heptanyl)-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylacetamide
CID 43596040

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-methylacetamide?
The IUPAC name of N-benzhydryl-2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-methylacetamide (CID 21174649) is N-benzhydryl-2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-methylacetamide.
What is the SMILES notation for N-benzhydryl-2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-methylacetamide?
The canonical SMILES for N-benzhydryl-2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-methylacetamide is CN(C(=O)C[C@@H]1C[C@@H]2CC[C@@H]1C2)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-methylacetamide?
The InChIKey is WCMOUGVFBQNLJW-UIFIKXQLSA-N. The full InChI is InChI=1S/C23H27NO/c1-24(22(25)16-21-15-17-12-13-20(21)14-17)23(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,17,20-21,23H,12-16H2,1H3/t17-,20-,21+/m1/s1.
What are the key properties of N-benzhydryl-2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-methylacetamide?
N-benzhydryl-2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-methylacetamide has a molecular weight of 333.48 g/mol, XLogP of 5.06, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-methylacetamide is sourced from PubChem (CID 21174649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).