2-amino-N-[3-(dibenzylamino)propyl]acetamide;dihydrochloride

C19H27Cl2N3O — CID 119897269

IUPAC2-amino-N-[3-(dibenzylamino)propyl]acetamide;dihydrochloride
SMILESCl.Cl.NCC(=O)NCCCN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H25N3O.2ClH/c20-14-19(23)21-12-7-13-22(15-17-8-3-1-4-9-17)16-18-10-5-2-6-11-18;;/h1-6,8-11H,7,12-16,20H2,(H,21,23);2*1H
InChIKeyFYQSLJANZFSYIG-UHFFFAOYSA-N
MW384.35 g/mol
LogP3.00
Rot. Bonds9

About 2-amino-N-[3-(dibenzylamino)propyl]acetamide;dihydrochloride

2-amino-N-[3-(dibenzylamino)propyl]acetamide;dihydrochloride (PubChem CID 119897269) has the molecular formula C19H27Cl2N3O and a molecular weight of 384.35 g/mol. Its IUPAC name is 2-amino-N-[3-(dibenzylamino)propyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[3-(dibenzylamino)propyl]acetamide;dihydrochloride
PubChem CID119897269
Molecular FormulaC19H27Cl2N3O
Molecular Weight384.35 g/mol
Exact Mass383.15
IUPAC Name2-amino-N-[3-(dibenzylamino)propyl]acetamide;dihydrochloride
SMILESCl.Cl.NCC(=O)NCCCN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H25N3O.2ClH/c20-14-19(23)21-12-7-13-22(15-17-8-3-1-4-9-17)16-18-10-5-2-6-11-18;;/h1-6,8-11H,7,12-16,20H2,(H,21,23);2*1H
InChIKeyFYQSLJANZFSYIG-UHFFFAOYSA-N
XLogP3.00
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.35
LogP ≤ 53.00
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

2-amino-N-[3-[benzyl(methyl)amino]propyl]acetamide;dihydrochloride
CID 119835671
4-[[2-[2-aminoethyl(benzyl)amino]acetyl]amino]butanoic acid
CID 106511665
4-(dibenzylamino)butanehydrazide
CID 130159101
3-[(2-aminoacetyl)amino]-N-benzylpropanamide;hydrochloride
CID 119310950
N-[3-[benzyl(ethyl)amino]propyl]-3-pyrrol-1-ylpropanamide
CID 46343167
N',N'-dibenzylethane-1,2-diamine;hydrochloride
CID 6460674
2-amino-N-[3-(dipropylamino)propyl]acetamide
CID 119861226
N,N,N',N'-tetrabenzylpentane-1,5-diamine
CID 134925977
azane;3-(dibenzylamino)propanoic acid
CID 162310692
2-[3-aminopropyl(benzyl)amino]-N-carbamoylacetamide
CID 107366810
methyl 4-aminobutanoate;methyl 4-(dibenzylamino)butanoate
CID 164962319
N'-[2-[2-(dibenzylamino)ethylamino]ethyl]ethane-1,2-diamine
CID 138740161

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(dibenzylamino)propyl]acetamide;dihydrochloride?
The IUPAC name of 2-amino-N-[3-(dibenzylamino)propyl]acetamide;dihydrochloride (CID 119897269) is 2-amino-N-[3-(dibenzylamino)propyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[3-(dibenzylamino)propyl]acetamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[3-(dibenzylamino)propyl]acetamide;dihydrochloride is Cl.Cl.NCC(=O)NCCCN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 2-amino-N-[3-(dibenzylamino)propyl]acetamide;dihydrochloride?
The InChIKey is FYQSLJANZFSYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O.2ClH/c20-14-19(23)21-12-7-13-22(15-17-8-3-1-4-9-17)16-18-10-5-2-6-11-18;;/h1-6,8-11H,7,12-16,20H2,(H,21,23);2*1H.
What are the key properties of 2-amino-N-[3-(dibenzylamino)propyl]acetamide;dihydrochloride?
2-amino-N-[3-(dibenzylamino)propyl]acetamide;dihydrochloride has a molecular weight of 384.35 g/mol, XLogP of 3.00, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(dibenzylamino)propyl]acetamide;dihydrochloride is sourced from PubChem (CID 119897269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).