N-[(R)-cyano-(4-phenylmethoxyphenyl)methyl]acetamide

C17H16N2O2 — CID 95306841

IUPACN-[(R)-cyano-(4-phenylmethoxyphenyl)methyl]acetamide
SMILESCC(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C17H16N2O2/c1-13(20)19-17(11-18)15-7-9-16(10-8-15)21-12-14-5-3-2-4-6-14/h2-10,17H,12H2,1H3,(H,19,20)/t17-/m0/s1
InChIKeyIEOTWEPVCSONQU-KRWDZBQOSA-N
MW280.33 g/mol
LogP2.97
Rot. Bonds5

About N-[(R)-cyano-(4-phenylmethoxyphenyl)methyl]acetamide

N-[(R)-cyano-(4-phenylmethoxyphenyl)methyl]acetamide (PubChem CID 95306841) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[(R)-cyano-(4-phenylmethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(R)-cyano-(4-phenylmethoxyphenyl)methyl]acetamide
PubChem CID95306841
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC NameN-[(R)-cyano-(4-phenylmethoxyphenyl)methyl]acetamide
SMILESCC(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C17H16N2O2/c1-13(20)19-17(11-18)15-7-9-16(10-8-15)21-12-14-5-3-2-4-6-14/h2-10,17H,12H2,1H3,(H,19,20)/t17-/m0/s1
InChIKeyIEOTWEPVCSONQU-KRWDZBQOSA-N
XLogP2.97
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyano-(4-phenylmethoxyphenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 122157704
2-hydroxy-2-(4-phenylmethoxyphenyl)acetonitrile
CID 15557528
N-[1-(4-cyanophenyl)ethyl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 55582792
2-phenyl-2-[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]acetonitrile
CID 126740807
(2R)-2-(4-phenylmethoxyphenoxy)propanoic acid
CID 1490297
(2S)-2-(4-phenylmethoxyphenoxy)propanoic acid
CID 1490295
(3R)-3-(4-phenylmethoxyphenyl)hex-4-ynoic acid
CID 59132754
methyl 2-(phenylmethoxycarbonylamino)-2-(4-phenylmethoxyphenyl)acetate
CID 90753894
2-(4-phenylmethoxyphenyl)-2-trimethylsilyloxyacetonitrile
CID 15327372
(3R)-3-(2,5-dimethylpyrrol-1-yl)-3-(4-phenylmethoxyphenyl)propanoic acid
CID 7096835
N-methyl-4-phenylmethoxybenzamide
CID 2996745
methyl 2-(4-phenylmethoxyphenoxy)propanoate
CID 13093988

Frequently Asked Questions

What is the IUPAC name of N-[(R)-cyano-(4-phenylmethoxyphenyl)methyl]acetamide?
The IUPAC name of N-[(R)-cyano-(4-phenylmethoxyphenyl)methyl]acetamide (CID 95306841) is N-[(R)-cyano-(4-phenylmethoxyphenyl)methyl]acetamide.
What is the SMILES notation for N-[(R)-cyano-(4-phenylmethoxyphenyl)methyl]acetamide?
The canonical SMILES for N-[(R)-cyano-(4-phenylmethoxyphenyl)methyl]acetamide is CC(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-[(R)-cyano-(4-phenylmethoxyphenyl)methyl]acetamide?
The InChIKey is IEOTWEPVCSONQU-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-13(20)19-17(11-18)15-7-9-16(10-8-15)21-12-14-5-3-2-4-6-14/h2-10,17H,12H2,1H3,(H,19,20)/t17-/m0/s1.
What are the key properties of N-[(R)-cyano-(4-phenylmethoxyphenyl)methyl]acetamide?
N-[(R)-cyano-(4-phenylmethoxyphenyl)methyl]acetamide has a molecular weight of 280.33 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-cyano-(4-phenylmethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 95306841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).