N-[2-(diaminomethylideneamino)oxyethyl]-2-(2-hydroxy-6-methylphenyl)acetamide

C12H18N4O3 — CID 91173102

IUPACN-[2-(diaminomethylideneamino)oxyethyl]-2-(2-hydroxy-6-methylphenyl)acetamide
SMILESCc1cccc(O)c1CC(=O)NCCON=C(N)N
InChIInChI=1S/C12H18N4O3/c1-8-3-2-4-10(17)9(8)7-11(18)15-5-6-19-16-12(13)14/h2-4,17H,5-7H2,1H3,(H,15,18)(H4,13,14,16)
InChIKeyPXFDUXYTDFSUDZ-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.44
Rot. Bonds6

About N-[2-(diaminomethylideneamino)oxyethyl]-2-(2-hydroxy-6-methylphenyl)acetamide

N-[2-(diaminomethylideneamino)oxyethyl]-2-(2-hydroxy-6-methylphenyl)acetamide (PubChem CID 91173102) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-[2-(diaminomethylideneamino)oxyethyl]-2-(2-hydroxy-6-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(diaminomethylideneamino)oxyethyl]-2-(2-hydroxy-6-methylphenyl)acetamide
PubChem CID91173102
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC NameN-[2-(diaminomethylideneamino)oxyethyl]-2-(2-hydroxy-6-methylphenyl)acetamide
SMILESCc1cccc(O)c1CC(=O)NCCON=C(N)N
InChIInChI=1S/C12H18N4O3/c1-8-3-2-4-10(17)9(8)7-11(18)15-5-6-19-16-12(13)14/h2-4,17H,5-7H2,1H3,(H,15,18)(H4,13,14,16)
InChIKeyPXFDUXYTDFSUDZ-UHFFFAOYSA-N
XLogP-0.44
TPSA122.96 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[3-(benzenesulfonamido)phenyl]-N-[2-(diaminomethylideneamino)oxyethyl]acetamide
CID 10200467
CID 158961774
CID 158961774
2-[6-cyano-3-[[2,2-difluoro-2-(6-methyl-2-pyridinyl)ethyl]amino]-2-fluorophenyl]-N-[2-(diaminomethylideneamino)oxyethyl]acetamide
CID 11259447
N-[2-(diaminomethylideneamino)oxyethyl]-2-[4-methyl-6-oxo-1-(2-phenylethylamino)-2,3-dihydropyridin-5-yl]acetamide
CID 87870995
2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]ethyl carbamate
CID 86787902
2-[(2,6-dimethylphenyl)methylsulfonylamino]-N-(2-methoxyethyl)acetamide
CID 22301433
N-[2-(2,6-dimethylphenoxy)ethyl]-2-hydroxybenzamide
CID 17386421
2-[3-[[2-(3-chlorophenyl)-2,2-difluoroethyl]amino]-6-cyano-2-fluorophenyl]-N-[2-(diaminomethylideneamino)oxyethyl]acetamide
CID 11225163
N-[2-(diaminomethylideneamino)oxyethyl]-2-[6-methyl-3-[2-(2-methylphenyl)ethylamino]-2-oxopyrazin-1-yl]acetamide;2,2,2-trifluoroacetic acid
CID 18671909
N-[2-(diaminomethylideneamino)oxyethyl]-2-[6-methyl-3-[(3-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide
CID 15887336
3-amino-N-[2-(2,6-dimethylphenyl)ethyl]propanamide
CID 119326216
2-[5-(benzylsulfonylamino)-2-chlorophenyl]-N-[2-(diaminomethylideneamino)oxyethyl]acetamide;methane
CID 159417417

Frequently Asked Questions

What is the IUPAC name of N-[2-(diaminomethylideneamino)oxyethyl]-2-(2-hydroxy-6-methylphenyl)acetamide?
The IUPAC name of N-[2-(diaminomethylideneamino)oxyethyl]-2-(2-hydroxy-6-methylphenyl)acetamide (CID 91173102) is N-[2-(diaminomethylideneamino)oxyethyl]-2-(2-hydroxy-6-methylphenyl)acetamide.
What is the SMILES notation for N-[2-(diaminomethylideneamino)oxyethyl]-2-(2-hydroxy-6-methylphenyl)acetamide?
The canonical SMILES for N-[2-(diaminomethylideneamino)oxyethyl]-2-(2-hydroxy-6-methylphenyl)acetamide is Cc1cccc(O)c1CC(=O)NCCON=C(N)N.
What is the InChIKey of N-[2-(diaminomethylideneamino)oxyethyl]-2-(2-hydroxy-6-methylphenyl)acetamide?
The InChIKey is PXFDUXYTDFSUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-8-3-2-4-10(17)9(8)7-11(18)15-5-6-19-16-12(13)14/h2-4,17H,5-7H2,1H3,(H,15,18)(H4,13,14,16).
What are the key properties of N-[2-(diaminomethylideneamino)oxyethyl]-2-(2-hydroxy-6-methylphenyl)acetamide?
N-[2-(diaminomethylideneamino)oxyethyl]-2-(2-hydroxy-6-methylphenyl)acetamide has a molecular weight of 266.30 g/mol, XLogP of -0.44, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diaminomethylideneamino)oxyethyl]-2-(2-hydroxy-6-methylphenyl)acetamide is sourced from PubChem (CID 91173102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).