N-[4-[cyano-(cycloheptylamino)methyl]phenyl]acetamide

C17H23N3O — CID 60997333

IUPACN-[4-[cyano-(cycloheptylamino)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(C#N)NC2CCCCCC2)cc1
InChIInChI=1S/C17H23N3O/c1-13(21)19-16-10-8-14(9-11-16)17(12-18)20-15-6-4-2-3-5-7-15/h8-11,15,17,20H,2-7H2,1H3,(H,19,21)
InChIKeyVMYBIRDHJSWSMM-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.52
Rot. Bonds4

About N-[4-[cyano-(cycloheptylamino)methyl]phenyl]acetamide

N-[4-[cyano-(cycloheptylamino)methyl]phenyl]acetamide (PubChem CID 60997333) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[4-[cyano-(cycloheptylamino)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[cyano-(cycloheptylamino)methyl]phenyl]acetamide
PubChem CID60997333
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[4-[cyano-(cycloheptylamino)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(C#N)NC2CCCCCC2)cc1
InChIInChI=1S/C17H23N3O/c1-13(21)19-16-10-8-14(9-11-16)17(12-18)20-15-6-4-2-3-5-7-15/h8-11,15,17,20H,2-7H2,1H3,(H,19,21)
InChIKeyVMYBIRDHJSWSMM-UHFFFAOYSA-N
XLogP3.52
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclohexylamino)-2-(3,4-dimethylphenyl)acetonitrile
CID 54894335
2-(cyclopentylamino)-2-(3,4-dichlorophenyl)acetonitrile
CID 54894364
2-(cyclopentylamino)-2-(4-fluoro-3-methylphenyl)acetonitrile
CID 62119933
N-[4-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]phenyl]acetamide
CID 171262963
1-[cyano(phenyl)methyl]-3-cyclohexylurea
CID 54904474
4-acetamido-N-cyclooctylbenzamide
CID 2990044
2-(cyclopropylamino)-2-(4-methoxyphenyl)acetonitrile
CID 43151709
2-(cycloheptylamino)-2-(3-fluoro-4-methoxyphenyl)acetonitrile
CID 65096774
2-(cycloheptylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile
CID 61210573
2-(1,3-benzodioxol-5-yl)-2-(cycloheptylamino)acetonitrile
CID 62670899
N-[4-(cyclooctanecarbonyl)phenyl]acetamide
CID 65018343
2-(cycloheptylamino)-2-(3,4,5-trifluorophenyl)acetonitrile
CID 63078021

Frequently Asked Questions

What is the IUPAC name of N-[4-[cyano-(cycloheptylamino)methyl]phenyl]acetamide?
The IUPAC name of N-[4-[cyano-(cycloheptylamino)methyl]phenyl]acetamide (CID 60997333) is N-[4-[cyano-(cycloheptylamino)methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[cyano-(cycloheptylamino)methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[cyano-(cycloheptylamino)methyl]phenyl]acetamide is CC(=O)Nc1ccc(C(C#N)NC2CCCCCC2)cc1.
What is the InChIKey of N-[4-[cyano-(cycloheptylamino)methyl]phenyl]acetamide?
The InChIKey is VMYBIRDHJSWSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-13(21)19-16-10-8-14(9-11-16)17(12-18)20-15-6-4-2-3-5-7-15/h8-11,15,17,20H,2-7H2,1H3,(H,19,21).
What are the key properties of N-[4-[cyano-(cycloheptylamino)methyl]phenyl]acetamide?
N-[4-[cyano-(cycloheptylamino)methyl]phenyl]acetamide has a molecular weight of 285.39 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[cyano-(cycloheptylamino)methyl]phenyl]acetamide is sourced from PubChem (CID 60997333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).