N-[1-[[cyano-(4-hydroxyphenyl)methyl]amino]propan-2-yl]acetamide

C13H17N3O2 — CID 84817888

IUPACN-[1-[[cyano-(4-hydroxyphenyl)methyl]amino]propan-2-yl]acetamide
SMILESCC(=O)NC(C)CNC(C#N)c1ccc(O)cc1
InChIInChI=1S/C13H17N3O2/c1-9(16-10(2)17)8-15-13(7-14)11-3-5-12(18)6-4-11/h3-6,9,13,15,18H,8H2,1-2H3,(H,16,17)
InChIKeyVLHCROFQVMKHEK-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.07
Rot. Bonds5

About N-[1-[[cyano-(4-hydroxyphenyl)methyl]amino]propan-2-yl]acetamide

N-[1-[[cyano-(4-hydroxyphenyl)methyl]amino]propan-2-yl]acetamide (PubChem CID 84817888) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-[1-[[cyano-(4-hydroxyphenyl)methyl]amino]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-[[cyano-(4-hydroxyphenyl)methyl]amino]propan-2-yl]acetamide
PubChem CID84817888
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-[1-[[cyano-(4-hydroxyphenyl)methyl]amino]propan-2-yl]acetamide
SMILESCC(=O)NC(C)CNC(C#N)c1ccc(O)cc1
InChIInChI=1S/C13H17N3O2/c1-9(16-10(2)17)8-15-13(7-14)11-3-5-12(18)6-4-11/h3-6,9,13,15,18H,8H2,1-2H3,(H,16,17)
InChIKeyVLHCROFQVMKHEK-UHFFFAOYSA-N
XLogP1.07
TPSA85.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[[cyano-(4-fluoro-3-methylphenyl)methyl]amino]propan-2-yl]acetamide
CID 84817919
2-(4-hydroxyphenyl)-2-(2-methylpropylamino)acetonitrile
CID 61005792
N-[2-[[cyano-(4-methylphenyl)methyl]amino]ethyl]acetamide
CID 84816804
2-(2-acetamidopropylamino)-2-(3-hydroxyphenyl)acetic acid
CID 84746870
N-[2-(4-hydroxyphenyl)propyl]acetamide
CID 14579439
N-[(R)-cyano-(4-phenylmethoxyphenyl)methyl]acetamide
CID 95306841
N-[(2R)-1-cyanopropan-2-yl]acetamide
CID 55299754
methyl 4-[cyano(ethylamino)methyl]benzoate
CID 43345098
2-[(4-chlorophenyl)methylamino]-2-(4-hydroxyphenyl)acetonitrile
CID 84817645
N-[3-[[cyano-(4-fluorophenyl)methyl]amino]propyl]acetamide
CID 84817840
2-(4-hydroxyphenyl)-2-[(2-methoxyphenyl)methylamino]acetonitrile
CID 84817126
2-(2-methylpropylamino)-2-[4-(trifluoromethylsulfanyl)phenyl]acetonitrile
CID 54887323

Frequently Asked Questions

What is the IUPAC name of N-[1-[[cyano-(4-hydroxyphenyl)methyl]amino]propan-2-yl]acetamide?
The IUPAC name of N-[1-[[cyano-(4-hydroxyphenyl)methyl]amino]propan-2-yl]acetamide (CID 84817888) is N-[1-[[cyano-(4-hydroxyphenyl)methyl]amino]propan-2-yl]acetamide.
What is the SMILES notation for N-[1-[[cyano-(4-hydroxyphenyl)methyl]amino]propan-2-yl]acetamide?
The canonical SMILES for N-[1-[[cyano-(4-hydroxyphenyl)methyl]amino]propan-2-yl]acetamide is CC(=O)NC(C)CNC(C#N)c1ccc(O)cc1.
What is the InChIKey of N-[1-[[cyano-(4-hydroxyphenyl)methyl]amino]propan-2-yl]acetamide?
The InChIKey is VLHCROFQVMKHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-9(16-10(2)17)8-15-13(7-14)11-3-5-12(18)6-4-11/h3-6,9,13,15,18H,8H2,1-2H3,(H,16,17).
What are the key properties of N-[1-[[cyano-(4-hydroxyphenyl)methyl]amino]propan-2-yl]acetamide?
N-[1-[[cyano-(4-hydroxyphenyl)methyl]amino]propan-2-yl]acetamide has a molecular weight of 247.30 g/mol, XLogP of 1.07, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[cyano-(4-hydroxyphenyl)methyl]amino]propan-2-yl]acetamide is sourced from PubChem (CID 84817888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).