bis[3-[benzyl(methyl)amino]propyl] carbonate

C23H32N2O3 — CID 18944362

IUPACbis[3-[benzyl(methyl)amino]propyl] carbonate
SMILESCN(CCCOC(=O)OCCCN(C)Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H32N2O3/c1-24(19-21-11-5-3-6-12-21)15-9-17-27-23(26)28-18-10-16-25(2)20-22-13-7-4-8-14-22/h3-8,11-14H,9-10,15-20H2,1-2H3
InChIKeyVMKZPSNUBSIRTQ-UHFFFAOYSA-N
MW384.52 g/mol
LogP4.18
Rot. Bonds12

About bis[3-[benzyl(methyl)amino]propyl] carbonate

bis[3-[benzyl(methyl)amino]propyl] carbonate (PubChem CID 18944362) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is bis[3-[benzyl(methyl)amino]propyl] carbonate.

Molecular Properties

Compound Namebis[3-[benzyl(methyl)amino]propyl] carbonate
PubChem CID18944362
Molecular FormulaC23H32N2O3
Molecular Weight384.52 g/mol
Exact Mass384.24
IUPAC Namebis[3-[benzyl(methyl)amino]propyl] carbonate
SMILESCN(CCCOC(=O)OCCCN(C)Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H32N2O3/c1-24(19-21-11-5-3-6-12-21)15-9-17-27-23(26)28-18-10-16-25(2)20-22-13-7-4-8-14-22/h3-8,11-14H,9-10,15-20H2,1-2H3
InChIKeyVMKZPSNUBSIRTQ-UHFFFAOYSA-N
XLogP4.18
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

bis[3-[benzyl(methyl)amino]propyl] carbonate;hydrate;dihydrochloride
CID 18944361
4-[3-[benzyl(methyl)amino]propoxy]benzoic acid
CID 20991269
N-benzyl-3-bromo-N-methylpropan-1-amine
CID 61288943
5-[benzyl(methyl)amino]pentanoic acid
CID 28972352
N-[3-[benzyl(methyl)amino]propyl]-N-methylacetamide
CID 71063617
N-benzyl-N-methyl-1-phenylmethanamine;oxalic acid
CID 163328136
(2S)-2-[3-[benzyl(methyl)amino]propoxyamino]-3-phenylpropanoic acid
CID 54167704
dodecyl 2-[benzyl(methyl)amino]acetate
CID 101127570
N'-benzyl-N'-methylethane-1,2-diamine
CID 3014812
4-[benzyl(methyl)amino]-1-[4-[4-[benzyl(methyl)amino]butanoyl]phenyl]butan-1-one;dihydrochloride
CID 52997459
N-benzyl-N-methyl-2-(3-phenylpropoxy)ethanamine;oxalic acid
CID 70694657
3-(N-benzylanilino)propyl acetate
CID 54183872

Frequently Asked Questions

What is the IUPAC name of bis[3-[benzyl(methyl)amino]propyl] carbonate?
The IUPAC name of bis[3-[benzyl(methyl)amino]propyl] carbonate (CID 18944362) is bis[3-[benzyl(methyl)amino]propyl] carbonate.
What is the SMILES notation for bis[3-[benzyl(methyl)amino]propyl] carbonate?
The canonical SMILES for bis[3-[benzyl(methyl)amino]propyl] carbonate is CN(CCCOC(=O)OCCCN(C)Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of bis[3-[benzyl(methyl)amino]propyl] carbonate?
The InChIKey is VMKZPSNUBSIRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3/c1-24(19-21-11-5-3-6-12-21)15-9-17-27-23(26)28-18-10-16-25(2)20-22-13-7-4-8-14-22/h3-8,11-14H,9-10,15-20H2,1-2H3.
What are the key properties of bis[3-[benzyl(methyl)amino]propyl] carbonate?
bis[3-[benzyl(methyl)amino]propyl] carbonate has a molecular weight of 384.52 g/mol, XLogP of 4.18, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[3-[benzyl(methyl)amino]propyl] carbonate is sourced from PubChem (CID 18944362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).