N-[[4-[3-[methyl-[2-(methylamino)ethyl]amino]propyl]phenyl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide

C19H33N3O2 — CID 87982052

IUPACN-[[4-[3-[methyl-[2-(methylamino)ethyl]amino]propyl]phenyl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide
SMILESCNCCN(C)CCCc1ccc(CN(C=O)OC(C)(C)C)cc1
InChIInChI=1S/C19H33N3O2/c1-19(2,3)24-22(16-23)15-18-10-8-17(9-11-18)7-6-13-21(5)14-12-20-4/h8-11,16,20H,6-7,12-15H2,1-5H3
InChIKeySOXAUMGTSFRKQM-UHFFFAOYSA-N
MW335.49 g/mol
LogP2.46
Rot. Bonds11

About N-[[4-[3-[methyl-[2-(methylamino)ethyl]amino]propyl]phenyl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide

N-[[4-[3-[methyl-[2-(methylamino)ethyl]amino]propyl]phenyl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide (PubChem CID 87982052) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is N-[[4-[3-[methyl-[2-(methylamino)ethyl]amino]propyl]phenyl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide.

Molecular Properties

Compound NameN-[[4-[3-[methyl-[2-(methylamino)ethyl]amino]propyl]phenyl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide
PubChem CID87982052
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC NameN-[[4-[3-[methyl-[2-(methylamino)ethyl]amino]propyl]phenyl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide
SMILESCNCCN(C)CCCc1ccc(CN(C=O)OC(C)(C)C)cc1
InChIInChI=1S/C19H33N3O2/c1-19(2,3)24-22(16-23)15-18-10-8-17(9-11-18)7-6-13-21(5)14-12-20-4/h8-11,16,20H,6-7,12-15H2,1-5H3
InChIKeySOXAUMGTSFRKQM-UHFFFAOYSA-N
XLogP2.46
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-[3-[4-[[formyl-[(2-methylpropan-2-yl)oxy]amino]methyl]phenyl]propyl-methylamino]ethyl]-1H-indole-2-carboxamide
CID 87982328
3-chloro-N-[2-[3-[4-[[formyl-[(2-methylpropan-2-yl)oxy]amino]methyl]phenyl]propyl-methylamino]ethyl]-1-benzothiophene-2-carboxamide
CID 87983139
N-[2-(methylamino)ethyl]-N-[(2-methylpropan-2-yl)oxy]formamide
CID 91320037
N-[(2-methylpropan-2-yl)oxy]-N-[(4-phenylphenyl)methyl]formamide
CID 87102955
4-[[formyl-[(2-methylpropan-2-yl)oxy]amino]methyl]benzoic acid
CID 19996362
N,N'-dimethyl-N'-[(4-propylphenyl)methyl]propane-1,3-diamine
CID 115197894
N-[[2-fluoro-4-[3-[methyl-[2-(naphthalen-2-ylsulfonylamino)ethyl]amino]propyl]phenyl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide
CID 87982778
N-methyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]pent-4-en-1-amine
CID 105348315
N-[2-[4-(4-chlorophenyl)butyl-methylamino]ethyl]formamide
CID 142157009
N,N'-dimethyl-N'-[2-(4-propylphenyl)ethyl]butane-1,4-diamine
CID 115202194
N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-methylbutan-1-amine
CID 105346572
N-[2-(2-aminoethylamino)ethyl]-N-[(2-methylpropan-2-yl)oxy]formamide
CID 141115607

Frequently Asked Questions

What is the IUPAC name of N-[[4-[3-[methyl-[2-(methylamino)ethyl]amino]propyl]phenyl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide?
The IUPAC name of N-[[4-[3-[methyl-[2-(methylamino)ethyl]amino]propyl]phenyl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide (CID 87982052) is N-[[4-[3-[methyl-[2-(methylamino)ethyl]amino]propyl]phenyl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide.
What is the SMILES notation for N-[[4-[3-[methyl-[2-(methylamino)ethyl]amino]propyl]phenyl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide?
The canonical SMILES for N-[[4-[3-[methyl-[2-(methylamino)ethyl]amino]propyl]phenyl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide is CNCCN(C)CCCc1ccc(CN(C=O)OC(C)(C)C)cc1.
What is the InChIKey of N-[[4-[3-[methyl-[2-(methylamino)ethyl]amino]propyl]phenyl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide?
The InChIKey is SOXAUMGTSFRKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O2/c1-19(2,3)24-22(16-23)15-18-10-8-17(9-11-18)7-6-13-21(5)14-12-20-4/h8-11,16,20H,6-7,12-15H2,1-5H3.
What are the key properties of N-[[4-[3-[methyl-[2-(methylamino)ethyl]amino]propyl]phenyl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide?
N-[[4-[3-[methyl-[2-(methylamino)ethyl]amino]propyl]phenyl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide has a molecular weight of 335.49 g/mol, XLogP of 2.46, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[3-[methyl-[2-(methylamino)ethyl]amino]propyl]phenyl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide is sourced from PubChem (CID 87982052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).