N-[4-(2-cyanopropylamino)phenyl]acetamide

C12H15N3O — CID 43245372

IUPACN-[4-(2-cyanopropylamino)phenyl]acetamide
SMILESCC(=O)Nc1ccc(NCC(C)C#N)cc1
InChIInChI=1S/C12H15N3O/c1-9(7-13)8-14-11-3-5-12(6-4-11)15-10(2)16/h3-6,9,14H,8H2,1-2H3,(H,15,16)
InChIKeyCKQGGTHIDUWRKS-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.22
Rot. Bonds4

About N-[4-(2-cyanopropylamino)phenyl]acetamide

N-[4-(2-cyanopropylamino)phenyl]acetamide (PubChem CID 43245372) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is N-[4-(2-cyanopropylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-cyanopropylamino)phenyl]acetamide
PubChem CID43245372
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC NameN-[4-(2-cyanopropylamino)phenyl]acetamide
SMILESCC(=O)Nc1ccc(NCC(C)C#N)cc1
InChIInChI=1S/C12H15N3O/c1-9(7-13)8-14-11-3-5-12(6-4-11)15-10(2)16/h3-6,9,14H,8H2,1-2H3,(H,15,16)
InChIKeyCKQGGTHIDUWRKS-UHFFFAOYSA-N
XLogP2.22
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(2-cyanopropylamino)methyl]phenyl]acetamide
CID 55101214
1-(4-bromophenyl)-3-[(2R)-2-cyanopropyl]urea
CID 95975275
3-(4-acetamidoanilino)-2-methylpropanamide
CID 43311999
2-methyl-3-(4-propylanilino)propanenitrile
CID 43243989
3-(4-ethoxyanilino)-2-methylpropanenitrile
CID 43245379
N-(4-acetamidophenyl)-3-cyano-2-methylpropanamide
CID 82118259
N-[4-[2-cyanopropyl(ethyl)sulfamoyl]phenyl]acetamide
CID 61384877
(Z)-3-(4-acetamidoanilino)-2-cyano-N-(2-methylpropyl)prop-2-enamide
CID 108832812
2-methyl-3-(4-morpholin-4-ylanilino)propanenitrile
CID 55025369
3-(4-bromo-3-fluoroanilino)-2-methylpropanenitrile
CID 65437513
3-cyano-N-(4-propan-2-ylphenyl)butanamide
CID 82115706
4-cyano-N-(4-propan-2-yloxyphenyl)pentanamide
CID 112516837

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-cyanopropylamino)phenyl]acetamide?
The IUPAC name of N-[4-(2-cyanopropylamino)phenyl]acetamide (CID 43245372) is N-[4-(2-cyanopropylamino)phenyl]acetamide.
What is the SMILES notation for N-[4-(2-cyanopropylamino)phenyl]acetamide?
The canonical SMILES for N-[4-(2-cyanopropylamino)phenyl]acetamide is CC(=O)Nc1ccc(NCC(C)C#N)cc1.
What is the InChIKey of N-[4-(2-cyanopropylamino)phenyl]acetamide?
The InChIKey is CKQGGTHIDUWRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9(7-13)8-14-11-3-5-12(6-4-11)15-10(2)16/h3-6,9,14H,8H2,1-2H3,(H,15,16).
What are the key properties of N-[4-(2-cyanopropylamino)phenyl]acetamide?
N-[4-(2-cyanopropylamino)phenyl]acetamide has a molecular weight of 217.27 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-cyanopropylamino)phenyl]acetamide is sourced from PubChem (CID 43245372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).