6-amino-N-[4-(2-cyanopropan-2-yl)phenyl]hexanamide

C16H23N3O — CID 43699716

IUPAC6-amino-N-[4-(2-cyanopropan-2-yl)phenyl]hexanamide
SMILESCC(C)(C#N)c1ccc(NC(=O)CCCCCN)cc1
InChIInChI=1S/C16H23N3O/c1-16(2,12-18)13-7-9-14(10-8-13)19-15(20)6-4-3-5-11-17/h7-10H,3-6,11,17H2,1-2H3,(H,19,20)
InChIKeyJVTDOMLHHZXMAR-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.95
Rot. Bonds7

About 6-amino-N-[4-(2-cyanopropan-2-yl)phenyl]hexanamide

6-amino-N-[4-(2-cyanopropan-2-yl)phenyl]hexanamide (PubChem CID 43699716) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 6-amino-N-[4-(2-cyanopropan-2-yl)phenyl]hexanamide.

Molecular Properties

Compound Name6-amino-N-[4-(2-cyanopropan-2-yl)phenyl]hexanamide
PubChem CID43699716
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name6-amino-N-[4-(2-cyanopropan-2-yl)phenyl]hexanamide
SMILESCC(C)(C#N)c1ccc(NC(=O)CCCCCN)cc1
InChIInChI=1S/C16H23N3O/c1-16(2,12-18)13-7-9-14(10-8-13)19-15(20)6-4-3-5-11-17/h7-10H,3-6,11,17H2,1-2H3,(H,19,20)
InChIKeyJVTDOMLHHZXMAR-UHFFFAOYSA-N
XLogP2.95
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-amino-N-[4-(carbamoylamino)phenyl]hexanamide
CID 43711108
N-[4-(2-cyanopropan-2-yl)phenyl]-2-(prop-2-enylamino)acetamide
CID 79285468
6-amino-N-[4-(cyanomethoxy)phenyl]hexanamide
CID 61249827
7-amino-N-(4-bromophenyl)heptanamide;hydrochloride
CID 119670334
N'-(4-tert-butylphenyl)-N-(4-methylphenyl)decanediamide
CID 173311186
N-(4-tert-butylphenyl)dodecanamide
CID 118504435
4-(6-aminohexanoylamino)benzamide
CID 24702559
ethyl N-[4-(6-aminohexanoylamino)phenyl]carbamate
CID 43706422
7-amino-N-(4-anilinophenyl)heptanamide
CID 119676142
6-amino-N-[4-(ethylsulfonylamino)phenyl]hexanamide
CID 60944515
6-amino-N-(4-pentylphenyl)hexanamide
CID 61248961
N-[4-(6-aminohexanoylamino)phenyl]cyclopropanecarboxamide
CID 61254205

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[4-(2-cyanopropan-2-yl)phenyl]hexanamide?
The IUPAC name of 6-amino-N-[4-(2-cyanopropan-2-yl)phenyl]hexanamide (CID 43699716) is 6-amino-N-[4-(2-cyanopropan-2-yl)phenyl]hexanamide.
What is the SMILES notation for 6-amino-N-[4-(2-cyanopropan-2-yl)phenyl]hexanamide?
The canonical SMILES for 6-amino-N-[4-(2-cyanopropan-2-yl)phenyl]hexanamide is CC(C)(C#N)c1ccc(NC(=O)CCCCCN)cc1.
What is the InChIKey of 6-amino-N-[4-(2-cyanopropan-2-yl)phenyl]hexanamide?
The InChIKey is JVTDOMLHHZXMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-16(2,12-18)13-7-9-14(10-8-13)19-15(20)6-4-3-5-11-17/h7-10H,3-6,11,17H2,1-2H3,(H,19,20).
What are the key properties of 6-amino-N-[4-(2-cyanopropan-2-yl)phenyl]hexanamide?
6-amino-N-[4-(2-cyanopropan-2-yl)phenyl]hexanamide has a molecular weight of 273.38 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[4-(2-cyanopropan-2-yl)phenyl]hexanamide is sourced from PubChem (CID 43699716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).