N-[3-[3-[benzyl(methyl)amino]propyl-methylamino]propyl]-5-methyl-1,2-oxazole-3-carboxamide

C20H30N4O2 — CID 8991000

IUPACN-[3-[3-[benzyl(methyl)amino]propyl-methylamino]propyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCCCN(C)CCCN(C)Cc2ccccc2)no1
InChIInChI=1S/C20H30N4O2/c1-17-15-19(22-26-17)20(25)21-11-7-12-23(2)13-8-14-24(3)16-18-9-5-4-6-10-18/h4-6,9-10,15H,7-8,11-14,16H2,1-3H3,(H,21,25)
InChIKeyVMXWJKYGHGFFEO-UHFFFAOYSA-N
MW358.49 g/mol
LogP2.56
Rot. Bonds11

About N-[3-[3-[benzyl(methyl)amino]propyl-methylamino]propyl]-5-methyl-1,2-oxazole-3-carboxamide

N-[3-[3-[benzyl(methyl)amino]propyl-methylamino]propyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 8991000) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-[3-[3-[benzyl(methyl)amino]propyl-methylamino]propyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[3-[benzyl(methyl)amino]propyl-methylamino]propyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID8991000
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC NameN-[3-[3-[benzyl(methyl)amino]propyl-methylamino]propyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCCCN(C)CCCN(C)Cc2ccccc2)no1
InChIInChI=1S/C20H30N4O2/c1-17-15-19(22-26-17)20(25)21-11-7-12-23(2)13-8-14-24(3)16-18-9-5-4-6-10-18/h4-6,9-10,15H,7-8,11-14,16H2,1-3H3,(H,21,25)
InChIKeyVMXWJKYGHGFFEO-UHFFFAOYSA-N
XLogP2.56
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[benzyl(methyl)amino]propyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 31588216
N-[3-[benzyl(methyl)amino]propyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 30541088
N-[3-[benzyl(methyl)amino]propyl]-2-fluorobenzamide
CID 110444087
N-[2-(3-fluorophenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 47009713
N-benzyl-N-(2-bromoethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 80661970
4-N-[3-[benzyl(methyl)amino]propyl]benzene-1,4-dicarboxamide
CID 41306684
3-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]benzoic acid
CID 63793346
5-[[benzyl(methyl)amino]methyl]-N-[(5-methylfuran-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 25493204
N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]benzamide
CID 41306011
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 60607130
N-[3-[3-benzamidopropyl(methyl)amino]propyl]benzamide
CID 67474503
N-(6-aminohexyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 143192635

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[benzyl(methyl)amino]propyl-methylamino]propyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-[3-[benzyl(methyl)amino]propyl-methylamino]propyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 8991000) is N-[3-[3-[benzyl(methyl)amino]propyl-methylamino]propyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-[3-[benzyl(methyl)amino]propyl-methylamino]propyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-[3-[benzyl(methyl)amino]propyl-methylamino]propyl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NCCCN(C)CCCN(C)Cc2ccccc2)no1.
What is the InChIKey of N-[3-[3-[benzyl(methyl)amino]propyl-methylamino]propyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is VMXWJKYGHGFFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-17-15-19(22-26-17)20(25)21-11-7-12-23(2)13-8-14-24(3)16-18-9-5-4-6-10-18/h4-6,9-10,15H,7-8,11-14,16H2,1-3H3,(H,21,25).
What are the key properties of N-[3-[3-[benzyl(methyl)amino]propyl-methylamino]propyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[3-[3-[benzyl(methyl)amino]propyl-methylamino]propyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 358.49 g/mol, XLogP of 2.56, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[benzyl(methyl)amino]propyl-methylamino]propyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 8991000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).