7-amino-N-[3-(cyanomethoxy)phenyl]heptanamide

C15H21N3O2 — CID 43708790

IUPAC7-amino-N-[3-(cyanomethoxy)phenyl]heptanamide
SMILESN#CCOc1cccc(NC(=O)CCCCCCN)c1
InChIInChI=1S/C15H21N3O2/c16-9-4-2-1-3-8-15(19)18-13-6-5-7-14(12-13)20-11-10-17/h5-7,12H,1-4,8-9,11,16H2,(H,18,19)
InChIKeyYYSCKLLQHPBITF-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.44
Rot. Bonds9

About 7-amino-N-[3-(cyanomethoxy)phenyl]heptanamide

7-amino-N-[3-(cyanomethoxy)phenyl]heptanamide (PubChem CID 43708790) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 7-amino-N-[3-(cyanomethoxy)phenyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[3-(cyanomethoxy)phenyl]heptanamide
PubChem CID43708790
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name7-amino-N-[3-(cyanomethoxy)phenyl]heptanamide
SMILESN#CCOc1cccc(NC(=O)CCCCCCN)c1
InChIInChI=1S/C15H21N3O2/c16-9-4-2-1-3-8-15(19)18-13-6-5-7-14(12-13)20-11-10-17/h5-7,12H,1-4,8-9,11,16H2,(H,18,19)
InChIKeyYYSCKLLQHPBITF-UHFFFAOYSA-N
XLogP2.44
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.44
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

6-amino-N-[4-(cyanomethoxy)phenyl]hexanamide
CID 61249827
N-[3-(cyanomethoxy)phenyl]-4-ethoxybutanamide
CID 47228165
3-[3-(cyanomethoxy)anilino]-3-oxopropanoic acid
CID 55049734
[3-(cyanomethoxy)phenyl]urea
CID 43369607
7-amino-N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]heptanamide
CID 119713892
2-[3-(5-aminopentylamino)phenoxy]acetonitrile
CID 59231148
4-amino-N-[3-(cyanomethoxy)phenyl]-3-methylbutanamide
CID 81075432
N-[3-(cyanomethoxy)phenyl]-3-ethoxypropanamide
CID 55091253
N-[3-(cyanomethoxy)phenyl]acetamide
CID 43093084
N-[4-[3-(cyanomethoxy)anilino]-4-oxobutyl]-2,4-difluorobenzamide
CID 55752228
N-[3-(cyanomethoxy)phenyl]-3,3-dimethylbutanamide
CID 43369167
N-[3-(cyanomethoxy)phenyl]-2-(prop-2-enylamino)acetamide
CID 79285957

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[3-(cyanomethoxy)phenyl]heptanamide?
The IUPAC name of 7-amino-N-[3-(cyanomethoxy)phenyl]heptanamide (CID 43708790) is 7-amino-N-[3-(cyanomethoxy)phenyl]heptanamide.
What is the SMILES notation for 7-amino-N-[3-(cyanomethoxy)phenyl]heptanamide?
The canonical SMILES for 7-amino-N-[3-(cyanomethoxy)phenyl]heptanamide is N#CCOc1cccc(NC(=O)CCCCCCN)c1.
What is the InChIKey of 7-amino-N-[3-(cyanomethoxy)phenyl]heptanamide?
The InChIKey is YYSCKLLQHPBITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c16-9-4-2-1-3-8-15(19)18-13-6-5-7-14(12-13)20-11-10-17/h5-7,12H,1-4,8-9,11,16H2,(H,18,19).
What are the key properties of 7-amino-N-[3-(cyanomethoxy)phenyl]heptanamide?
7-amino-N-[3-(cyanomethoxy)phenyl]heptanamide has a molecular weight of 275.35 g/mol, XLogP of 2.44, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[3-(cyanomethoxy)phenyl]heptanamide is sourced from PubChem (CID 43708790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).