N-[(2,5-diaminophenyl)methyl]-N-[(2-methylpropan-2-yl)oxy]formamide

C12H19N3O2 — CID 175183567

IUPACN-[(2,5-diaminophenyl)methyl]-N-[(2-methylpropan-2-yl)oxy]formamide
SMILESCC(C)(C)ON(C=O)Cc1cc(N)ccc1N
InChIInChI=1S/C12H19N3O2/c1-12(2,3)17-15(8-16)7-9-6-10(13)4-5-11(9)14/h4-6,8H,7,13-14H2,1-3H3
InChIKeyUGDDDRVHSUXKRE-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.54
Rot. Bonds4

About N-[(2,5-diaminophenyl)methyl]-N-[(2-methylpropan-2-yl)oxy]formamide

N-[(2,5-diaminophenyl)methyl]-N-[(2-methylpropan-2-yl)oxy]formamide (PubChem CID 175183567) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[(2,5-diaminophenyl)methyl]-N-[(2-methylpropan-2-yl)oxy]formamide.

Molecular Properties

Compound NameN-[(2,5-diaminophenyl)methyl]-N-[(2-methylpropan-2-yl)oxy]formamide
PubChem CID175183567
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-[(2,5-diaminophenyl)methyl]-N-[(2-methylpropan-2-yl)oxy]formamide
SMILESCC(C)(C)ON(C=O)Cc1cc(N)ccc1N
InChIInChI=1S/C12H19N3O2/c1-12(2,3)17-15(8-16)7-9-6-10(13)4-5-11(9)14/h4-6,8H,7,13-14H2,1-3H3
InChIKeyUGDDDRVHSUXKRE-UHFFFAOYSA-N
XLogP1.54
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-diaminophenyl)methyl]-N-[(2-methylpropan-2-yl)oxy]formamide?
The IUPAC name of N-[(2,5-diaminophenyl)methyl]-N-[(2-methylpropan-2-yl)oxy]formamide (CID 175183567) is N-[(2,5-diaminophenyl)methyl]-N-[(2-methylpropan-2-yl)oxy]formamide.
What is the SMILES notation for N-[(2,5-diaminophenyl)methyl]-N-[(2-methylpropan-2-yl)oxy]formamide?
The canonical SMILES for N-[(2,5-diaminophenyl)methyl]-N-[(2-methylpropan-2-yl)oxy]formamide is CC(C)(C)ON(C=O)Cc1cc(N)ccc1N.
What is the InChIKey of N-[(2,5-diaminophenyl)methyl]-N-[(2-methylpropan-2-yl)oxy]formamide?
The InChIKey is UGDDDRVHSUXKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-12(2,3)17-15(8-16)7-9-6-10(13)4-5-11(9)14/h4-6,8H,7,13-14H2,1-3H3.
What are the key properties of N-[(2,5-diaminophenyl)methyl]-N-[(2-methylpropan-2-yl)oxy]formamide?
N-[(2,5-diaminophenyl)methyl]-N-[(2-methylpropan-2-yl)oxy]formamide has a molecular weight of 237.30 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-diaminophenyl)methyl]-N-[(2-methylpropan-2-yl)oxy]formamide is sourced from PubChem (CID 175183567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).