7-amino-N-(3,4-dihydro-2H-chromen-6-yl)heptanamide

C16H24N2O2 — CID 119767333

IUPAC7-amino-N-(3,4-dihydro-2H-chromen-6-yl)heptanamide
SMILESNCCCCCCC(=O)Nc1ccc2c(c1)CCCO2
InChIInChI=1S/C16H24N2O2/c17-10-4-2-1-3-7-16(19)18-14-8-9-15-13(12-14)6-5-11-20-15/h8-9,12H,1-7,10-11,17H2,(H,18,19)
InChIKeyJALJRJOSDHZZFH-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.86
Rot. Bonds7

About 7-amino-N-(3,4-dihydro-2H-chromen-6-yl)heptanamide

7-amino-N-(3,4-dihydro-2H-chromen-6-yl)heptanamide (PubChem CID 119767333) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 7-amino-N-(3,4-dihydro-2H-chromen-6-yl)heptanamide.

Molecular Properties

Compound Name7-amino-N-(3,4-dihydro-2H-chromen-6-yl)heptanamide
PubChem CID119767333
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name7-amino-N-(3,4-dihydro-2H-chromen-6-yl)heptanamide
SMILESNCCCCCCC(=O)Nc1ccc2c(c1)CCCO2
InChIInChI=1S/C16H24N2O2/c17-10-4-2-1-3-7-16(19)18-14-8-9-15-13(12-14)6-5-11-20-15/h8-9,12H,1-7,10-11,17H2,(H,18,19)
InChIKeyJALJRJOSDHZZFH-UHFFFAOYSA-N
XLogP2.86
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.86
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

7-amino-N-(2,3-dihydro-1-benzofuran-5-yl)heptanamide;hydrochloride
CID 119728510
7-amino-N-(2,3-dihydro-1H-inden-5-yl)heptanamide
CID 24700487
4-amino-N-(3,4-dihydro-2H-chromen-6-yl)-4-methylpentanamide
CID 115157512
N-(3,4-dihydro-2H-chromen-6-yl)-2-sulfanylacetamide
CID 115166948
5-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)pentanamide
CID 107909036
N'-(3,4-dihydro-2H-chromen-6-yl)butane-1,4-diamine
CID 115201022
N-(3,4-dihydro-2H-chromen-6-yl)carbamoyl bromide
CID 115193294
N,N'-bis(2,3-dihydro-1,4-benzodioxin-6-yl)hexanediamide
CID 2930949
7-amino-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)heptanamide
CID 119775274
N-(3,4-dihydro-2H-chromen-6-yl)-2-phenoxyacetamide
CID 110726178
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-hydroxybutanamide
CID 79200438
3-amino-N-(3,4-dihydro-2H-chromen-6-ylmethyl)propanamide
CID 82496307

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(3,4-dihydro-2H-chromen-6-yl)heptanamide?
The IUPAC name of 7-amino-N-(3,4-dihydro-2H-chromen-6-yl)heptanamide (CID 119767333) is 7-amino-N-(3,4-dihydro-2H-chromen-6-yl)heptanamide.
What is the SMILES notation for 7-amino-N-(3,4-dihydro-2H-chromen-6-yl)heptanamide?
The canonical SMILES for 7-amino-N-(3,4-dihydro-2H-chromen-6-yl)heptanamide is NCCCCCCC(=O)Nc1ccc2c(c1)CCCO2.
What is the InChIKey of 7-amino-N-(3,4-dihydro-2H-chromen-6-yl)heptanamide?
The InChIKey is JALJRJOSDHZZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c17-10-4-2-1-3-7-16(19)18-14-8-9-15-13(12-14)6-5-11-20-15/h8-9,12H,1-7,10-11,17H2,(H,18,19).
What are the key properties of 7-amino-N-(3,4-dihydro-2H-chromen-6-yl)heptanamide?
7-amino-N-(3,4-dihydro-2H-chromen-6-yl)heptanamide has a molecular weight of 276.38 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(3,4-dihydro-2H-chromen-6-yl)heptanamide is sourced from PubChem (CID 119767333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).