7-amino-N-[3-[methyl(propan-2-yl)amino]phenyl]heptanamide;dihydrochloride

C17H31Cl2N3O — CID 119883127

IUPAC7-amino-N-[3-[methyl(propan-2-yl)amino]phenyl]heptanamide;dihydrochloride
SMILESCC(C)N(C)c1cccc(NC(=O)CCCCCCN)c1.Cl.Cl
InChIInChI=1S/C17H29N3O.2ClH/c1-14(2)20(3)16-10-8-9-15(13-16)19-17(21)11-6-4-5-7-12-18;;/h8-10,13-14H,4-7,11-12,18H2,1-3H3,(H,19,21);2*1H
InChIKeyPEOUFBXODXWLDH-UHFFFAOYSA-N
MW364.36 g/mol
LogP4.22
Rot. Bonds9

About 7-amino-N-[3-[methyl(propan-2-yl)amino]phenyl]heptanamide;dihydrochloride

7-amino-N-[3-[methyl(propan-2-yl)amino]phenyl]heptanamide;dihydrochloride (PubChem CID 119883127) has the molecular formula C17H31Cl2N3O and a molecular weight of 364.36 g/mol. Its IUPAC name is 7-amino-N-[3-[methyl(propan-2-yl)amino]phenyl]heptanamide;dihydrochloride.

Molecular Properties

Compound Name7-amino-N-[3-[methyl(propan-2-yl)amino]phenyl]heptanamide;dihydrochloride
PubChem CID119883127
Molecular FormulaC17H31Cl2N3O
Molecular Weight364.36 g/mol
Exact Mass363.18
IUPAC Name7-amino-N-[3-[methyl(propan-2-yl)amino]phenyl]heptanamide;dihydrochloride
SMILESCC(C)N(C)c1cccc(NC(=O)CCCCCCN)c1.Cl.Cl
InChIInChI=1S/C17H29N3O.2ClH/c1-14(2)20(3)16-10-8-9-15(13-16)19-17(21)11-6-4-5-7-12-18;;/h8-10,13-14H,4-7,11-12,18H2,1-3H3,(H,19,21);2*1H
InChIKeyPEOUFBXODXWLDH-UHFFFAOYSA-N
XLogP4.22
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 54.22
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-(3-bromophenyl)heptanamide;hydrochloride
CID 119670373
4-(2-methylimidazol-1-yl)-N-[3-[methyl(propan-2-yl)amino]phenyl]butanamide
CID 56785420
3-(7-aminoheptanoylamino)benzoic acid
CID 61157847
2-(cyclopropylmethylamino)-N-[3-[methyl(propan-2-yl)amino]phenyl]acetamide;dihydrochloride
CID 119883167
2-methyl-3-(methylamino)-N-[3-[methyl(propan-2-yl)amino]phenyl]propanamide;dihydrochloride
CID 119883171
6-amino-N-[3-(diethylaminomethyl)phenyl]hexanamide
CID 43711987
7-amino-N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]heptanamide
CID 119713892
4-amino-N-[3-(dimethylsulfamoyl)phenyl]butanamide
CID 43707686
N,N'-bis[3-[acetyl(methyl)amino]phenyl]pentanediamide
CID 46762249
7-amino-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]heptanamide;hydrochloride
CID 119717826
4-amino-N-(3-propan-2-yloxyphenyl)butanamide
CID 92930679
6-amino-N-(3-ethynylphenyl)hexanamide
CID 24703584

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[3-[methyl(propan-2-yl)amino]phenyl]heptanamide;dihydrochloride?
The IUPAC name of 7-amino-N-[3-[methyl(propan-2-yl)amino]phenyl]heptanamide;dihydrochloride (CID 119883127) is 7-amino-N-[3-[methyl(propan-2-yl)amino]phenyl]heptanamide;dihydrochloride.
What is the SMILES notation for 7-amino-N-[3-[methyl(propan-2-yl)amino]phenyl]heptanamide;dihydrochloride?
The canonical SMILES for 7-amino-N-[3-[methyl(propan-2-yl)amino]phenyl]heptanamide;dihydrochloride is CC(C)N(C)c1cccc(NC(=O)CCCCCCN)c1.Cl.Cl.
What is the InChIKey of 7-amino-N-[3-[methyl(propan-2-yl)amino]phenyl]heptanamide;dihydrochloride?
The InChIKey is PEOUFBXODXWLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O.2ClH/c1-14(2)20(3)16-10-8-9-15(13-16)19-17(21)11-6-4-5-7-12-18;;/h8-10,13-14H,4-7,11-12,18H2,1-3H3,(H,19,21);2*1H.
What are the key properties of 7-amino-N-[3-[methyl(propan-2-yl)amino]phenyl]heptanamide;dihydrochloride?
7-amino-N-[3-[methyl(propan-2-yl)amino]phenyl]heptanamide;dihydrochloride has a molecular weight of 364.36 g/mol, XLogP of 4.22, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[3-[methyl(propan-2-yl)amino]phenyl]heptanamide;dihydrochloride is sourced from PubChem (CID 119883127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).