N-cyano-N-[3-(3-hydroxypropyl)phenyl]acetamide

C12H14N2O2 — CID 173327930

IUPACN-cyano-N-[3-(3-hydroxypropyl)phenyl]acetamide
SMILESCC(=O)N(C#N)c1cccc(CCCO)c1
InChIInChI=1S/C12H14N2O2/c1-10(16)14(9-13)12-6-2-4-11(8-12)5-3-7-15/h2,4,6,8,15H,3,5,7H2,1H3
InChIKeyBJMOZWIHMZMGRA-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.45
Rot. Bonds4

About N-cyano-N-[3-(3-hydroxypropyl)phenyl]acetamide

N-cyano-N-[3-(3-hydroxypropyl)phenyl]acetamide (PubChem CID 173327930) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is N-cyano-N-[3-(3-hydroxypropyl)phenyl]acetamide.

Molecular Properties

Compound NameN-cyano-N-[3-(3-hydroxypropyl)phenyl]acetamide
PubChem CID173327930
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC NameN-cyano-N-[3-(3-hydroxypropyl)phenyl]acetamide
SMILESCC(=O)N(C#N)c1cccc(CCCO)c1
InChIInChI=1S/C12H14N2O2/c1-10(16)14(9-13)12-6-2-4-11(8-12)5-3-7-15/h2,4,6,8,15H,3,5,7H2,1H3
InChIKeyBJMOZWIHMZMGRA-UHFFFAOYSA-N
XLogP1.45
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3-hydroxypropyl)phenyl]-N-methylmethanesulfonamide
CID 117360657
methyl 3-[6-[3-(3-hydroxypropyl)phenyl]hexyl]benzoate
CID 10043723
propyl 3-(3-hydroxypropyl)benzoate
CID 10443536
N-[3-(aminomethyl)phenyl]-N-methylacetamide
CID 2760942
3-[3-[acetyl(methyl)amino]phenyl]propanoic acid
CID 28760016
methyl 3-(4-hydroxybutyl)benzoate
CID 25172820
3-[3-[bis(2-hydroxyethyl)amino]phenyl]propanenitrile
CID 54327955
3-[3-(bromomethyl)phenyl]propan-1-ol
CID 139754880
3-(3-aminophenyl)propan-1-ol
CID 10103334
3-[3-(3-aminopropyl)phenyl]propan-1-ol
CID 42610454
cyanamide;3-phenylpropan-1-ol
CID 174483450
3-[3-(methoxymethyl)phenyl]propan-1-ol
CID 117278462

Frequently Asked Questions

What is the IUPAC name of N-cyano-N-[3-(3-hydroxypropyl)phenyl]acetamide?
The IUPAC name of N-cyano-N-[3-(3-hydroxypropyl)phenyl]acetamide (CID 173327930) is N-cyano-N-[3-(3-hydroxypropyl)phenyl]acetamide.
What is the SMILES notation for N-cyano-N-[3-(3-hydroxypropyl)phenyl]acetamide?
The canonical SMILES for N-cyano-N-[3-(3-hydroxypropyl)phenyl]acetamide is CC(=O)N(C#N)c1cccc(CCCO)c1.
What is the InChIKey of N-cyano-N-[3-(3-hydroxypropyl)phenyl]acetamide?
The InChIKey is BJMOZWIHMZMGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-10(16)14(9-13)12-6-2-4-11(8-12)5-3-7-15/h2,4,6,8,15H,3,5,7H2,1H3.
What are the key properties of N-cyano-N-[3-(3-hydroxypropyl)phenyl]acetamide?
N-cyano-N-[3-(3-hydroxypropyl)phenyl]acetamide has a molecular weight of 218.26 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-N-[3-(3-hydroxypropyl)phenyl]acetamide is sourced from PubChem (CID 173327930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).