N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide

C12H17NO2 — CID 10774699

IUPACN-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
SMILESCC[C@@H](NC(C)=O)c1ccc(OC)cc1
InChIInChI=1S/C12H17NO2/c1-4-12(13-9(2)14)10-5-7-11(15-3)8-6-10/h5-8,12H,4H2,1-3H3,(H,13,14)/t12-/m1/s1
InChIKeyDDGIFDZDCCOYQM-GFCCVEGCSA-N
MW207.27 g/mol
LogP2.28
Rot. Bonds4

About N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide

N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide (PubChem CID 10774699) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
PubChem CID10774699
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
SMILESCC[C@@H](NC(C)=O)c1ccc(OC)cc1
InChIInChI=1S/C12H17NO2/c1-4-12(13-9(2)14)10-5-7-11(15-3)8-6-10/h5-8,12H,4H2,1-3H3,(H,13,14)/t12-/m1/s1
InChIKeyDDGIFDZDCCOYQM-GFCCVEGCSA-N
XLogP2.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide?
The IUPAC name of N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide (CID 10774699) is N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide.
What is the SMILES notation for N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide?
The canonical SMILES for N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide is CC[C@@H](NC(C)=O)c1ccc(OC)cc1.
What is the InChIKey of N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide?
The InChIKey is DDGIFDZDCCOYQM-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H17NO2/c1-4-12(13-9(2)14)10-5-7-11(15-3)8-6-10/h5-8,12H,4H2,1-3H3,(H,13,14)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide?
N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide has a molecular weight of 207.27 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide is sourced from PubChem (CID 10774699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).