N-[1-bicyclo[1.1.1]pentanyl(phenyl)methyl]acetamide

C14H17NO — CID 177291004

IUPACN-[1-bicyclo[1.1.1]pentanyl(phenyl)methyl]acetamide
SMILESCC(=O)NC(c1ccccc1)C12CC(C1)C2
InChIInChI=1S/C14H17NO/c1-10(16)15-13(12-5-3-2-4-6-12)14-7-11(8-14)9-14/h2-6,11,13H,7-9H2,1H3,(H,15,16)
InChIKeyJKOCBOGMQKHEPY-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.66
Rot. Bonds3

About N-[1-bicyclo[1.1.1]pentanyl(phenyl)methyl]acetamide

N-[1-bicyclo[1.1.1]pentanyl(phenyl)methyl]acetamide (PubChem CID 177291004) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is N-[1-bicyclo[1.1.1]pentanyl(phenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[1-bicyclo[1.1.1]pentanyl(phenyl)methyl]acetamide
PubChem CID177291004
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC NameN-[1-bicyclo[1.1.1]pentanyl(phenyl)methyl]acetamide
SMILESCC(=O)NC(c1ccccc1)C12CC(C1)C2
InChIInChI=1S/C14H17NO/c1-10(16)15-13(12-5-3-2-4-6-12)14-7-11(8-14)9-14/h2-6,11,13H,7-9H2,1H3,(H,15,16)
InChIKeyJKOCBOGMQKHEPY-UHFFFAOYSA-N
XLogP2.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-adamantyl(phenyl)methyl]hydrazine
CID 105214386
N-[(R)-[(1S,2R,3S,5S,7S)-5-chloro-1-hydroxy-2-adamantyl]-phenylmethyl]acetamide
CID 142524668
(2R)-2-(1-adamantyl)-2-[(2,2-diphenylacetyl)amino]acetic acid
CID 7090694
N-[(1R)-3-[2-[2-(1-adamantyl)acetyl]hydrazinyl]-3-oxo-1-phenylpropyl]acetamide
CID 7799897
N-[(1S)-2,2-difluoro-1-phenylethyl]acetamide
CID 129415662
2-acetamido-2-phenylethanethioic S-acid
CID 54058419
N-[(3-methyloxolan-2-yl)-phenylmethyl]acetamide
CID 123739117
[acetamido(phenyl)methyl]phosphonic acid
CID 12726207
(2S)-2-acetamido-2-(1-adamantyl)acetic acid
CID 11253749
N-(1-phenylprop-2-ynyl)acetamide
CID 15014547
[(R)-acetamido(phenyl)methyl]phosphonic acid
CID 18634539
methyl (2R)-2-acetamido-2-phenylacetate
CID 10921683

Frequently Asked Questions

What is the IUPAC name of N-[1-bicyclo[1.1.1]pentanyl(phenyl)methyl]acetamide?
The IUPAC name of N-[1-bicyclo[1.1.1]pentanyl(phenyl)methyl]acetamide (CID 177291004) is N-[1-bicyclo[1.1.1]pentanyl(phenyl)methyl]acetamide.
What is the SMILES notation for N-[1-bicyclo[1.1.1]pentanyl(phenyl)methyl]acetamide?
The canonical SMILES for N-[1-bicyclo[1.1.1]pentanyl(phenyl)methyl]acetamide is CC(=O)NC(c1ccccc1)C12CC(C1)C2.
What is the InChIKey of N-[1-bicyclo[1.1.1]pentanyl(phenyl)methyl]acetamide?
The InChIKey is JKOCBOGMQKHEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-10(16)15-13(12-5-3-2-4-6-12)14-7-11(8-14)9-14/h2-6,11,13H,7-9H2,1H3,(H,15,16).
What are the key properties of N-[1-bicyclo[1.1.1]pentanyl(phenyl)methyl]acetamide?
N-[1-bicyclo[1.1.1]pentanyl(phenyl)methyl]acetamide has a molecular weight of 215.30 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-bicyclo[1.1.1]pentanyl(phenyl)methyl]acetamide is sourced from PubChem (CID 177291004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).