6-amino-N-[4-(cyanomethoxy)phenyl]hexanamide

C14H19N3O2 — CID 61249827

IUPAC6-amino-N-[4-(cyanomethoxy)phenyl]hexanamide
SMILESN#CCOc1ccc(NC(=O)CCCCCN)cc1
InChIInChI=1S/C14H19N3O2/c15-9-3-1-2-4-14(18)17-12-5-7-13(8-6-12)19-11-10-16/h5-8H,1-4,9,11,15H2,(H,17,18)
InChIKeyHHMLSCJGWQHPAM-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.05
Rot. Bonds8

About 6-amino-N-[4-(cyanomethoxy)phenyl]hexanamide

6-amino-N-[4-(cyanomethoxy)phenyl]hexanamide (PubChem CID 61249827) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 6-amino-N-[4-(cyanomethoxy)phenyl]hexanamide.

Molecular Properties

Compound Name6-amino-N-[4-(cyanomethoxy)phenyl]hexanamide
PubChem CID61249827
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name6-amino-N-[4-(cyanomethoxy)phenyl]hexanamide
SMILESN#CCOc1ccc(NC(=O)CCCCCN)cc1
InChIInChI=1S/C14H19N3O2/c15-9-3-1-2-4-14(18)17-12-5-7-13(8-6-12)19-11-10-16/h5-8H,1-4,9,11,15H2,(H,17,18)
InChIKeyHHMLSCJGWQHPAM-UHFFFAOYSA-N
XLogP2.05
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-amino-N-[3-(cyanomethoxy)phenyl]heptanamide
CID 43708790
7-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]heptanamide;hydrochloride
CID 119709277
2-bromo-N-[4-(cyanomethoxy)phenyl]acetamide
CID 63679924
6-amino-N-[4-(carbamoylamino)phenyl]hexanamide
CID 43711108
3-amino-N-[4-(cyanomethoxy)phenyl]butanamide
CID 61248145
6-amino-N-[4-(2-cyanopropan-2-yl)phenyl]hexanamide
CID 43699716
N-[4-(cyanomethoxy)phenyl]-3-(4-methoxyphenyl)propanamide
CID 30873501
N,N'-bis(4-ethoxyphenyl)nonanediamide
CID 4507995
6-amino-N-(4-cyclopentyloxyphenyl)hexanamide
CID 43706244
7-amino-N-(4-bromophenyl)heptanamide;hydrochloride
CID 119670334
4-(6-aminohexanoylamino)benzamide
CID 24702559
2-(1-aminocyclopentyl)-N-[4-(cyanomethoxy)phenyl]acetamide
CID 64677584

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[4-(cyanomethoxy)phenyl]hexanamide?
The IUPAC name of 6-amino-N-[4-(cyanomethoxy)phenyl]hexanamide (CID 61249827) is 6-amino-N-[4-(cyanomethoxy)phenyl]hexanamide.
What is the SMILES notation for 6-amino-N-[4-(cyanomethoxy)phenyl]hexanamide?
The canonical SMILES for 6-amino-N-[4-(cyanomethoxy)phenyl]hexanamide is N#CCOc1ccc(NC(=O)CCCCCN)cc1.
What is the InChIKey of 6-amino-N-[4-(cyanomethoxy)phenyl]hexanamide?
The InChIKey is HHMLSCJGWQHPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c15-9-3-1-2-4-14(18)17-12-5-7-13(8-6-12)19-11-10-16/h5-8H,1-4,9,11,15H2,(H,17,18).
What are the key properties of 6-amino-N-[4-(cyanomethoxy)phenyl]hexanamide?
6-amino-N-[4-(cyanomethoxy)phenyl]hexanamide has a molecular weight of 261.32 g/mol, XLogP of 2.05, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[4-(cyanomethoxy)phenyl]hexanamide is sourced from PubChem (CID 61249827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).