formamide;N-[[4-[[4-[(hydroxyamino)methyl]phenyl]methyl]phenyl]methyl]hydroxylamine

C16H21N3O3 — CID 19038353

IUPACformamide;N-[[4-[[4-[(hydroxyamino)methyl]phenyl]methyl]phenyl]methyl]hydroxylamine
SMILESNC=O.ONCc1ccc(Cc2ccc(CNO)cc2)cc1
InChIInChI=1S/C15H18N2O2.CH3NO/c18-16-10-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)11-17-19;2-1-3/h1-8,16-19H,9-11H2;1H,(H2,2,3)
InChIKeyHCKYCFUSBPJVFN-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.34
Rot. Bonds6

About formamide;N-[[4-[[4-[(hydroxyamino)methyl]phenyl]methyl]phenyl]methyl]hydroxylamine

formamide;N-[[4-[[4-[(hydroxyamino)methyl]phenyl]methyl]phenyl]methyl]hydroxylamine (PubChem CID 19038353) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is formamide;N-[[4-[[4-[(hydroxyamino)methyl]phenyl]methyl]phenyl]methyl]hydroxylamine.

Molecular Properties

Compound Nameformamide;N-[[4-[[4-[(hydroxyamino)methyl]phenyl]methyl]phenyl]methyl]hydroxylamine
PubChem CID19038353
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Nameformamide;N-[[4-[[4-[(hydroxyamino)methyl]phenyl]methyl]phenyl]methyl]hydroxylamine
SMILESNC=O.ONCc1ccc(Cc2ccc(CNO)cc2)cc1
InChIInChI=1S/C15H18N2O2.CH3NO/c18-16-10-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)11-17-19;2-1-3/h1-8,16-19H,9-11H2;1H,(H2,2,3)
InChIKeyHCKYCFUSBPJVFN-UHFFFAOYSA-N
XLogP1.34
TPSA107.61 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze formamide;N-[[4-[[4-[(hydroxyamino)methyl]phenyl]methyl]phenyl]methyl]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

formamide;N-[[4-[3-[4-[(hydroxyamino)methyl]phenoxy]cyclohexyl]oxyphenyl]methyl]hydroxylamine
CID 19038364
N-[[4-[amino-[4-[(hydroxyamino)methyl]phenyl]methyl]phenyl]methyl]hydroxylamine
CID 19038496
N-benzylhydroxylamine;formaldehyde
CID 87671632
N-[(4-nitrophenyl)methyl]hydroxylamine;hydrochloride
CID 86662371
4-(ethylaminomethyl)benzaldehyde
CID 87956656
N-[[4-[[4-[(benzylamino)methyl]phenyl]methyl]phenyl]methyl]-1-phenylmethanamine;dihydrochloride
CID 24837605
N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]hydroxylamine
CID 82610599
N-[[4-(hydroxymethyl)phenyl]methyl]formamide
CID 58613645
N-[[4-(aminomethyl)phenyl]methyl]formamide;hydrochloride
CID 141415760
4-[[4-[(hydroxyamino)methyl]phenyl]methylsulfanyl]phenol
CID 88915543
1-[4-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 594666
4-[[4-[(4-aminophenyl)methyl]phenyl]methyl]aniline
CID 22315939

Frequently Asked Questions

What is the IUPAC name of formamide;N-[[4-[[4-[(hydroxyamino)methyl]phenyl]methyl]phenyl]methyl]hydroxylamine?
The IUPAC name of formamide;N-[[4-[[4-[(hydroxyamino)methyl]phenyl]methyl]phenyl]methyl]hydroxylamine (CID 19038353) is formamide;N-[[4-[[4-[(hydroxyamino)methyl]phenyl]methyl]phenyl]methyl]hydroxylamine.
What is the SMILES notation for formamide;N-[[4-[[4-[(hydroxyamino)methyl]phenyl]methyl]phenyl]methyl]hydroxylamine?
The canonical SMILES for formamide;N-[[4-[[4-[(hydroxyamino)methyl]phenyl]methyl]phenyl]methyl]hydroxylamine is NC=O.ONCc1ccc(Cc2ccc(CNO)cc2)cc1.
What is the InChIKey of formamide;N-[[4-[[4-[(hydroxyamino)methyl]phenyl]methyl]phenyl]methyl]hydroxylamine?
The InChIKey is HCKYCFUSBPJVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2.CH3NO/c18-16-10-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)11-17-19;2-1-3/h1-8,16-19H,9-11H2;1H,(H2,2,3).
What are the key properties of formamide;N-[[4-[[4-[(hydroxyamino)methyl]phenyl]methyl]phenyl]methyl]hydroxylamine?
formamide;N-[[4-[[4-[(hydroxyamino)methyl]phenyl]methyl]phenyl]methyl]hydroxylamine has a molecular weight of 303.36 g/mol, XLogP of 1.34, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formamide;N-[[4-[[4-[(hydroxyamino)methyl]phenyl]methyl]phenyl]methyl]hydroxylamine is sourced from PubChem (CID 19038353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).