7-amino-N-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylphenyl]heptanamide;hydrochloride

C18H30ClN3O3 — CID 119746942

IUPAC7-amino-N-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylphenyl]heptanamide;hydrochloride
SMILESCc1ccc(NC(=O)CCCCCCN)c(OCC(=O)N(C)C)c1.Cl
InChIInChI=1S/C18H29N3O3.ClH/c1-14-9-10-15(16(12-14)24-13-18(23)21(2)3)20-17(22)8-6-4-5-7-11-19;/h9-10,12H,4-8,11,13,19H2,1-3H3,(H,20,22);1H
InChIKeyJDXJNUCVMFYXRD-UHFFFAOYSA-N
MW371.91 g/mol
LogP2.73
Rot. Bonds10

About 7-amino-N-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylphenyl]heptanamide;hydrochloride

7-amino-N-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylphenyl]heptanamide;hydrochloride (PubChem CID 119746942) has the molecular formula C18H30ClN3O3 and a molecular weight of 371.91 g/mol. Its IUPAC name is 7-amino-N-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylphenyl]heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylphenyl]heptanamide;hydrochloride
PubChem CID119746942
Molecular FormulaC18H30ClN3O3
Molecular Weight371.91 g/mol
Exact Mass371.20
IUPAC Name7-amino-N-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylphenyl]heptanamide;hydrochloride
SMILESCc1ccc(NC(=O)CCCCCCN)c(OCC(=O)N(C)C)c1.Cl
InChIInChI=1S/C18H29N3O3.ClH/c1-14-9-10-15(16(12-14)24-13-18(23)21(2)3)20-17(22)8-6-4-5-7-11-19;/h9-10,12H,4-8,11,13,19H2,1-3H3,(H,20,22);1H
InChIKeyJDXJNUCVMFYXRD-UHFFFAOYSA-N
XLogP2.73
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.91
LogP ≤ 52.73
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

4-amino-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]butanamide
CID 119302270
7-amino-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]heptanamide
CID 119743232
7-amino-N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]heptanamide
CID 119713892
2-[2-[[4-(hydroxymethyl)phenyl]methylamino]-5-methylphenoxy]-N,N-dimethylacetamide
CID 110006577
7-amino-N-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]heptanamide;hydrochloride
CID 119785431
6-(4-methyl-2-propoxyanilino)-6-oxohexanoic acid
CID 60934555
2-(2-fluoro-5-methylphenoxy)-N,N-dimethylacetamide
CID 64853369
cis-(1S,2R)-2-[[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylphenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 146106643
7-amino-N-(4-methyl-2-nitrophenyl)heptanamide
CID 43708379
7-amino-N-(2-methoxyphenyl)heptanamide;hydrochloride
CID 119670519
2-amino-N-[2-[2-(dimethylamino)ethoxy]-4-methylphenyl]acetamide
CID 119889464
2-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]acetamide;hydrochloride
CID 119291233

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylphenyl]heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylphenyl]heptanamide;hydrochloride (CID 119746942) is 7-amino-N-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylphenyl]heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylphenyl]heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylphenyl]heptanamide;hydrochloride is Cc1ccc(NC(=O)CCCCCCN)c(OCC(=O)N(C)C)c1.Cl.
What is the InChIKey of 7-amino-N-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylphenyl]heptanamide;hydrochloride?
The InChIKey is JDXJNUCVMFYXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3.ClH/c1-14-9-10-15(16(12-14)24-13-18(23)21(2)3)20-17(22)8-6-4-5-7-11-19;/h9-10,12H,4-8,11,13,19H2,1-3H3,(H,20,22);1H.
What are the key properties of 7-amino-N-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylphenyl]heptanamide;hydrochloride?
7-amino-N-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylphenyl]heptanamide;hydrochloride has a molecular weight of 371.91 g/mol, XLogP of 2.73, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylphenyl]heptanamide;hydrochloride is sourced from PubChem (CID 119746942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).