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

C15H24ClN3O3 — CID 119709277

IUPAC7-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]heptanamide;hydrochloride
SMILESCl.NCCCCCCC(=O)Nc1ccc(OCC(N)=O)cc1
InChIInChI=1S/C15H23N3O3.ClH/c16-10-4-2-1-3-5-15(20)18-12-6-8-13(9-7-12)21-11-14(17)19;/h6-9H,1-5,10-11,16H2,(H2,17,19)(H,18,20);1H
InChIKeyMKQPEOZSTVSJRQ-UHFFFAOYSA-N
MW329.83 g/mol
LogP1.82
Rot. Bonds10

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

7-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]heptanamide;hydrochloride (PubChem CID 119709277) has the molecular formula C15H24ClN3O3 and a molecular weight of 329.83 g/mol. Its IUPAC name is 7-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]heptanamide;hydrochloride
PubChem CID119709277
Molecular FormulaC15H24ClN3O3
Molecular Weight329.83 g/mol
Exact Mass329.15
IUPAC Name7-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]heptanamide;hydrochloride
SMILESCl.NCCCCCCC(=O)Nc1ccc(OCC(N)=O)cc1
InChIInChI=1S/C15H23N3O3.ClH/c16-10-4-2-1-3-5-15(20)18-12-6-8-13(9-7-12)21-11-14(17)19;/h6-9H,1-5,10-11,16H2,(H2,17,19)(H,18,20);1H
InChIKeyMKQPEOZSTVSJRQ-UHFFFAOYSA-N
XLogP1.82
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]propanamide;hydrochloride
CID 119281562
3-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]propanamide
CID 43707093
6-amino-N-[4-(cyanomethoxy)phenyl]hexanamide
CID 61249827
6-amino-N-[4-(carbamoylamino)phenyl]hexanamide
CID 43711108
N-[4-(2-amino-2-oxoethoxy)phenyl]-4-(propan-2-ylamino)butanamide
CID 60849921
7-amino-N-[4-(2-methoxyphenoxy)phenyl]heptanamide;hydrochloride
CID 119697280
4-(6-aminohexanoylamino)benzamide
CID 24702559
7-amino-N-(4-bromophenyl)heptanamide;hydrochloride
CID 119670334
2-[4-[(2-methoxyacetyl)amino]phenoxy]acetamide
CID 47156560
N,N'-bis(4-ethoxyphenyl)nonanediamide
CID 4507995
6-amino-N-(4-cyclopentyloxyphenyl)hexanamide
CID 43706244
3-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]propanamide
CID 43700453

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]heptanamide;hydrochloride (CID 119709277) is 7-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]heptanamide;hydrochloride is Cl.NCCCCCCC(=O)Nc1ccc(OCC(N)=O)cc1.
What is the InChIKey of 7-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]heptanamide;hydrochloride?
The InChIKey is MKQPEOZSTVSJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3.ClH/c16-10-4-2-1-3-5-15(20)18-12-6-8-13(9-7-12)21-11-14(17)19;/h6-9H,1-5,10-11,16H2,(H2,17,19)(H,18,20);1H.
What are the key properties of 7-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]heptanamide;hydrochloride?
7-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]heptanamide;hydrochloride has a molecular weight of 329.83 g/mol, XLogP of 1.82, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]heptanamide;hydrochloride is sourced from PubChem (CID 119709277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).