7-amino-N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]heptanamide

C17H27N3O3 — CID 119713892

IUPAC7-amino-N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]heptanamide
SMILESCN(C)C(=O)COc1cccc(NC(=O)CCCCCCN)c1
InChIInChI=1S/C17H27N3O3/c1-20(2)17(22)13-23-15-9-7-8-14(12-15)19-16(21)10-5-3-4-6-11-18/h7-9,12H,3-6,10-11,13,18H2,1-2H3,(H,19,21)
InChIKeyPEVHNVOSKNYYFO-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.00
Rot. Bonds10

About 7-amino-N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]heptanamide

7-amino-N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]heptanamide (PubChem CID 119713892) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 7-amino-N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]heptanamide
PubChem CID119713892
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name7-amino-N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]heptanamide
SMILESCN(C)C(=O)COc1cccc(NC(=O)CCCCCCN)c1
InChIInChI=1S/C17H27N3O3/c1-20(2)17(22)13-23-15-9-7-8-14(12-15)19-16(21)10-5-3-4-6-11-18/h7-9,12H,3-6,10-11,13,18H2,1-2H3,(H,19,21)
InChIKeyPEVHNVOSKNYYFO-UHFFFAOYSA-N
XLogP2.00
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.00
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
N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-(methylamino)acetamide;hydrochloride
CID 119713905
ethyl 7-(3-ethoxyanilino)-7-oxoheptanoate
CID 139378123
N-[3-(2-amino-2-sulfanylideneethoxy)phenyl]octanamide
CID 43369412
4-amino-N-(3-propan-2-yloxyphenyl)butanamide
CID 92930679
N,N'-bis(3-hexoxyphenyl)nonanediamide
CID 17094975
6-(3-ethoxyanilino)-6-oxohexanoic acid
CID 54866810
7-amino-N-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylphenyl]heptanamide;hydrochloride
CID 119746942
2-[3-(5-methoxypentanoylamino)phenoxy]acetic acid
CID 119224688
2-[3-(3-aminopropylamino)phenoxy]-N,N-diethylacetamide
CID 117097567
7-amino-N-[3-[methyl(propan-2-yl)amino]phenyl]heptanamide;dihydrochloride
CID 119883127
N-[3-(2-ethoxyethoxy)phenyl]tetradecanamide
CID 54789458

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]heptanamide?
The IUPAC name of 7-amino-N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]heptanamide (CID 119713892) is 7-amino-N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]heptanamide.
What is the SMILES notation for 7-amino-N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]heptanamide?
The canonical SMILES for 7-amino-N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]heptanamide is CN(C)C(=O)COc1cccc(NC(=O)CCCCCCN)c1.
What is the InChIKey of 7-amino-N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]heptanamide?
The InChIKey is PEVHNVOSKNYYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-20(2)17(22)13-23-15-9-7-8-14(12-15)19-16(21)10-5-3-4-6-11-18/h7-9,12H,3-6,10-11,13,18H2,1-2H3,(H,19,21).
What are the key properties of 7-amino-N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]heptanamide?
7-amino-N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]heptanamide has a molecular weight of 321.42 g/mol, XLogP of 2.00, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]heptanamide is sourced from PubChem (CID 119713892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).