2-amino-N-[3-(3-cyanopropoxy)phenyl]hexanamide

C16H23N3O2 — CID 60927656

IUPAC2-amino-N-[3-(3-cyanopropoxy)phenyl]hexanamide
SMILESCCCCC(N)C(=O)Nc1cccc(OCCCC#N)c1
InChIInChI=1S/C16H23N3O2/c1-2-3-9-15(18)16(20)19-13-7-6-8-14(12-13)21-11-5-4-10-17/h6-8,12,15H,2-5,9,11,18H2,1H3,(H,19,20)
InChIKeyFUMHRMPUWVNFMS-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.83
Rot. Bonds9

About 2-amino-N-[3-(3-cyanopropoxy)phenyl]hexanamide

2-amino-N-[3-(3-cyanopropoxy)phenyl]hexanamide (PubChem CID 60927656) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-amino-N-[3-(3-cyanopropoxy)phenyl]hexanamide.

Molecular Properties

Compound Name2-amino-N-[3-(3-cyanopropoxy)phenyl]hexanamide
PubChem CID60927656
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-amino-N-[3-(3-cyanopropoxy)phenyl]hexanamide
SMILESCCCCC(N)C(=O)Nc1cccc(OCCCC#N)c1
InChIInChI=1S/C16H23N3O2/c1-2-3-9-15(18)16(20)19-13-7-6-8-14(12-13)21-11-5-4-10-17/h6-8,12,15H,2-5,9,11,18H2,1H3,(H,19,20)
InChIKeyFUMHRMPUWVNFMS-UHFFFAOYSA-N
XLogP2.83
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.83
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

(2S)-2-amino-N-[3-[2-(dimethylamino)ethoxy]phenyl]hexanamide
CID 103831964
2-amino-N-[3-(3-cyanopropoxy)phenyl]-3-methylbutanamide
CID 60927001
(2S)-2-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]hexanamide
CID 103831187
2-amino-5-methoxy-N-(3-propoxyphenyl)pentanamide
CID 81082999
3-amino-N-[3-(3-cyanopropoxy)phenyl]-2-methylpropanamide
CID 62670693
N-(3-acetamidophenyl)-2-aminohexanamide
CID 60852572
N-[3-(3-cyanopropoxy)phenyl]-2-methyl-2-(methylamino)propanamide
CID 62847252
(2S)-2-amino-N-[3-(2-methylpropoxy)phenyl]pentanamide
CID 93360101
3-amino-4-oxo-4-(3-propoxyanilino)butanoic acid
CID 64894519
2-amino-5-methoxy-N-[3-(2-methylpropoxy)phenyl]pentanamide
CID 81071451
2-amino-N-(3-ethynylphenyl)hexanamide
CID 60852206
2-amino-N-[2-[3-(3-cyanopropoxy)anilino]-2-oxoethyl]acetamide
CID 60928110

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(3-cyanopropoxy)phenyl]hexanamide?
The IUPAC name of 2-amino-N-[3-(3-cyanopropoxy)phenyl]hexanamide (CID 60927656) is 2-amino-N-[3-(3-cyanopropoxy)phenyl]hexanamide.
What is the SMILES notation for 2-amino-N-[3-(3-cyanopropoxy)phenyl]hexanamide?
The canonical SMILES for 2-amino-N-[3-(3-cyanopropoxy)phenyl]hexanamide is CCCCC(N)C(=O)Nc1cccc(OCCCC#N)c1.
What is the InChIKey of 2-amino-N-[3-(3-cyanopropoxy)phenyl]hexanamide?
The InChIKey is FUMHRMPUWVNFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-2-3-9-15(18)16(20)19-13-7-6-8-14(12-13)21-11-5-4-10-17/h6-8,12,15H,2-5,9,11,18H2,1H3,(H,19,20).
What are the key properties of 2-amino-N-[3-(3-cyanopropoxy)phenyl]hexanamide?
2-amino-N-[3-(3-cyanopropoxy)phenyl]hexanamide has a molecular weight of 289.38 g/mol, XLogP of 2.83, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(3-cyanopropoxy)phenyl]hexanamide is sourced from PubChem (CID 60927656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).