2-amino-N-[3-[3-(dimethylamino)propoxy]phenyl]-2-methylpentanamide;dihydrochloride

C17H31Cl2N3O2 — CID 119885880

IUPAC2-amino-N-[3-[3-(dimethylamino)propoxy]phenyl]-2-methylpentanamide;dihydrochloride
SMILESCCCC(C)(N)C(=O)Nc1cccc(OCCCN(C)C)c1.Cl.Cl
InChIInChI=1S/C17H29N3O2.2ClH/c1-5-10-17(2,18)16(21)19-14-8-6-9-15(13-14)22-12-7-11-20(3)4;;/h6,8-9,13H,5,7,10-12,18H2,1-4H3,(H,19,21);2*1H
InChIKeyHUHRUWICFWKJOC-UHFFFAOYSA-N
MW380.36 g/mol
LogP3.32
Rot. Bonds9

About 2-amino-N-[3-[3-(dimethylamino)propoxy]phenyl]-2-methylpentanamide;dihydrochloride

2-amino-N-[3-[3-(dimethylamino)propoxy]phenyl]-2-methylpentanamide;dihydrochloride (PubChem CID 119885880) has the molecular formula C17H31Cl2N3O2 and a molecular weight of 380.36 g/mol. Its IUPAC name is 2-amino-N-[3-[3-(dimethylamino)propoxy]phenyl]-2-methylpentanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[3-[3-(dimethylamino)propoxy]phenyl]-2-methylpentanamide;dihydrochloride
PubChem CID119885880
Molecular FormulaC17H31Cl2N3O2
Molecular Weight380.36 g/mol
Exact Mass379.18
IUPAC Name2-amino-N-[3-[3-(dimethylamino)propoxy]phenyl]-2-methylpentanamide;dihydrochloride
SMILESCCCC(C)(N)C(=O)Nc1cccc(OCCCN(C)C)c1.Cl.Cl
InChIInChI=1S/C17H29N3O2.2ClH/c1-5-10-17(2,18)16(21)19-14-8-6-9-15(13-14)22-12-7-11-20(3)4;;/h6,8-9,13H,5,7,10-12,18H2,1-4H3,(H,19,21);2*1H
InChIKeyHUHRUWICFWKJOC-UHFFFAOYSA-N
XLogP3.32
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.36
LogP ≤ 53.32
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

2-amino-2-methyl-N-[3-(3-methylbutoxy)phenyl]pentanamide
CID 119753505
2-amino-N-[3-[3-(dimethylamino)propoxy]phenyl]-2-phenylpropanamide
CID 120596891
2-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-methylpentanamide
CID 60928090
N-[3-[3-(dimethylamino)propoxy]phenyl]acetamide
CID 71811695
N-[2-(3-acetamidophenoxy)ethyl]-2-amino-2-methylpentanamide
CID 119776248
N-[3-[2-(dimethylamino)ethoxy]phenyl]-2,2-dimethylpropanamide
CID 60776296
2-amino-N-[3-[(3-fluorophenyl)methoxy]phenyl]-2-methylpentanamide;hydrochloride
CID 119739977
3-amino-2,2-dimethyl-N-(3-propoxyphenyl)propanamide;hydrochloride
CID 119715008
2-amino-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-2-methylpentanamide;hydrochloride
CID 119739656
2-amino-N-(3-bromophenyl)-2-methylpentanamide
CID 60847337
N-[4-[3-(dimethylamino)propoxy]phenyl]-2-methyl-2-propoxypentanamide
CID 133247077
N-[3-[2-(dimethylamino)ethoxy]phenyl]butanamide
CID 60776294

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-[3-(dimethylamino)propoxy]phenyl]-2-methylpentanamide;dihydrochloride?
The IUPAC name of 2-amino-N-[3-[3-(dimethylamino)propoxy]phenyl]-2-methylpentanamide;dihydrochloride (CID 119885880) is 2-amino-N-[3-[3-(dimethylamino)propoxy]phenyl]-2-methylpentanamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[3-[3-(dimethylamino)propoxy]phenyl]-2-methylpentanamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[3-[3-(dimethylamino)propoxy]phenyl]-2-methylpentanamide;dihydrochloride is CCCC(C)(N)C(=O)Nc1cccc(OCCCN(C)C)c1.Cl.Cl.
What is the InChIKey of 2-amino-N-[3-[3-(dimethylamino)propoxy]phenyl]-2-methylpentanamide;dihydrochloride?
The InChIKey is HUHRUWICFWKJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2.2ClH/c1-5-10-17(2,18)16(21)19-14-8-6-9-15(13-14)22-12-7-11-20(3)4;;/h6,8-9,13H,5,7,10-12,18H2,1-4H3,(H,19,21);2*1H.
What are the key properties of 2-amino-N-[3-[3-(dimethylamino)propoxy]phenyl]-2-methylpentanamide;dihydrochloride?
2-amino-N-[3-[3-(dimethylamino)propoxy]phenyl]-2-methylpentanamide;dihydrochloride has a molecular weight of 380.36 g/mol, XLogP of 3.32, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-[3-(dimethylamino)propoxy]phenyl]-2-methylpentanamide;dihydrochloride is sourced from PubChem (CID 119885880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).