N-[3-[[[amino-(tert-butylamino)methylidene]amino]methyl]phenyl]acetamide

C14H22N4O — CID 111044874

IUPACN-[3-[[[amino-(tert-butylamino)methylidene]amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C/N=C(\N)NC(C)(C)C)c1
InChIInChI=1S/C14H22N4O/c1-10(19)17-12-7-5-6-11(8-12)9-16-13(15)18-14(2,3)4/h5-8H,9H2,1-4H3,(H,17,19)(H3,15,16,18)
InChIKeyAACFHVOLFQBHGK-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.85
Rot. Bonds3

About N-[3-[[[amino-(tert-butylamino)methylidene]amino]methyl]phenyl]acetamide

N-[3-[[[amino-(tert-butylamino)methylidene]amino]methyl]phenyl]acetamide (PubChem CID 111044874) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N-[3-[[[amino-(tert-butylamino)methylidene]amino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[[amino-(tert-butylamino)methylidene]amino]methyl]phenyl]acetamide
PubChem CID111044874
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN-[3-[[[amino-(tert-butylamino)methylidene]amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C/N=C(\N)NC(C)(C)C)c1
InChIInChI=1S/C14H22N4O/c1-10(19)17-12-7-5-6-11(8-12)9-16-13(15)18-14(2,3)4/h5-8H,9H2,1-4H3,(H,17,19)(H3,15,16,18)
InChIKeyAACFHVOLFQBHGK-UHFFFAOYSA-N
XLogP1.85
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[3-[[[amino-(tert-butylamino)methylidene]amino]methyl]phenyl]furan-2-carboxamide;hydroiodide
CID 111046750
1-tert-butyl-2-[(3-chlorophenyl)methyl]guanidine
CID 62531902
N-[3-[[[amino-(tert-butylamino)methylidene]amino]methyl]phenyl]oxolane-2-carboxamide
CID 111083043
N-[3-[[[amino-(2-methylpropylamino)methylidene]amino]methyl]phenyl]acetamide;hydroiodide
CID 111044869
3-[[[amino-(tert-butylamino)methylidene]amino]methyl]-N-methylbenzamide
CID 111058799
N-[3-[[[amino-(3-phenoxyanilino)methylidene]amino]methyl]phenyl]acetamide
CID 111598250
1-tert-butyl-2-[[3-(trifluoromethyl)phenyl]methyl]guanidine
CID 62363272
N-[3-[[[amino(diethylamino)methylidene]amino]methyl]phenyl]acetamide;hydroiodide
CID 111044877
1-tert-butyl-2-[(3-methoxyphenyl)methyl]guanidine;hydroiodide
CID 110912175
3-[[[amino-(tert-butylamino)methylidene]amino]methyl]-N-propylbenzamide
CID 111058626
1-tert-butyl-2-[(3-ethoxyphenyl)methyl]guanidine
CID 62362866
N-[5-[[[amino-(tert-butylamino)methylidene]amino]methyl]-2-methoxyphenyl]acetamide
CID 111094528

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[amino-(tert-butylamino)methylidene]amino]methyl]phenyl]acetamide?
The IUPAC name of N-[3-[[[amino-(tert-butylamino)methylidene]amino]methyl]phenyl]acetamide (CID 111044874) is N-[3-[[[amino-(tert-butylamino)methylidene]amino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[[[amino-(tert-butylamino)methylidene]amino]methyl]phenyl]acetamide?
The canonical SMILES for N-[3-[[[amino-(tert-butylamino)methylidene]amino]methyl]phenyl]acetamide is CC(=O)Nc1cccc(C/N=C(\N)NC(C)(C)C)c1.
What is the InChIKey of N-[3-[[[amino-(tert-butylamino)methylidene]amino]methyl]phenyl]acetamide?
The InChIKey is AACFHVOLFQBHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-10(19)17-12-7-5-6-11(8-12)9-16-13(15)18-14(2,3)4/h5-8H,9H2,1-4H3,(H,17,19)(H3,15,16,18).
What are the key properties of N-[3-[[[amino-(tert-butylamino)methylidene]amino]methyl]phenyl]acetamide?
N-[3-[[[amino-(tert-butylamino)methylidene]amino]methyl]phenyl]acetamide has a molecular weight of 262.36 g/mol, XLogP of 1.85, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[amino-(tert-butylamino)methylidene]amino]methyl]phenyl]acetamide is sourced from PubChem (CID 111044874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).