N-[2-[[amino-(4-propan-2-yloxyanilino)methylidene]amino]ethyl]-2,2-dimethylpropanamide

C17H28N4O2 — CID 111095030

IUPACN-[2-[[amino-(4-propan-2-yloxyanilino)methylidene]amino]ethyl]-2,2-dimethylpropanamide
SMILESCC(C)Oc1ccc(N/C(N)=N/CCNC(=O)C(C)(C)C)cc1
InChIInChI=1S/C17H28N4O2/c1-12(2)23-14-8-6-13(7-9-14)21-16(18)20-11-10-19-15(22)17(3,4)5/h6-9,12H,10-11H2,1-5H3,(H,19,22)(H3,18,20,21)
InChIKeyLTCSEHVEZHGSCS-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.36
Rot. Bonds6

About N-[2-[[amino-(4-propan-2-yloxyanilino)methylidene]amino]ethyl]-2,2-dimethylpropanamide

N-[2-[[amino-(4-propan-2-yloxyanilino)methylidene]amino]ethyl]-2,2-dimethylpropanamide (PubChem CID 111095030) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-[2-[[amino-(4-propan-2-yloxyanilino)methylidene]amino]ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[[amino-(4-propan-2-yloxyanilino)methylidene]amino]ethyl]-2,2-dimethylpropanamide
PubChem CID111095030
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC NameN-[2-[[amino-(4-propan-2-yloxyanilino)methylidene]amino]ethyl]-2,2-dimethylpropanamide
SMILESCC(C)Oc1ccc(N/C(N)=N/CCNC(=O)C(C)(C)C)cc1
InChIInChI=1S/C17H28N4O2/c1-12(2)23-14-8-6-13(7-9-14)21-16(18)20-11-10-19-15(22)17(3,4)5/h6-9,12H,10-11H2,1-5H3,(H,19,22)(H3,18,20,21)
InChIKeyLTCSEHVEZHGSCS-UHFFFAOYSA-N
XLogP2.36
TPSA88.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

N-[2-[[amino-(4-butan-2-ylanilino)methylidene]amino]ethyl]-2,2-dimethylpropanamide
CID 111094948
1-(4-propan-2-yloxyphenyl)-2-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine
CID 111049798
2,2-dimethyl-N-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]propanamide
CID 112999062
tert-butyl N-[2-[[amino-(4-propan-2-yloxyanilino)methylidene]amino]ethyl]-N-ethylcarbamate
CID 111096921
N-[2-[[amino-(3,5-dimethylanilino)methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
CID 111094961
2-[3-(ethylsulfonylamino)propyl]-1-(4-propan-2-yloxyphenyl)guanidine
CID 111093527
2-pent-3-enyl-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111813701
N-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]-2,2-dimethylpropanamide
CID 111094994
2-tert-butyl-1-(4-propan-2-yloxyphenyl)guanidine
CID 55068406
N-[2-[[amino-(2,3-dihydro-1H-inden-5-ylamino)methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
CID 111095009
N-[2-[[amino-(2,5-dimethoxyanilino)methylidene]amino]ethyl]-2,2-dimethylpropanamide
CID 111095002
2-[3-(2-hydroxyethoxy)propyl]-1-(4-propan-2-yloxyphenyl)guanidine
CID 110018624

Frequently Asked Questions

What is the IUPAC name of N-[2-[[amino-(4-propan-2-yloxyanilino)methylidene]amino]ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[[amino-(4-propan-2-yloxyanilino)methylidene]amino]ethyl]-2,2-dimethylpropanamide (CID 111095030) is N-[2-[[amino-(4-propan-2-yloxyanilino)methylidene]amino]ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[[amino-(4-propan-2-yloxyanilino)methylidene]amino]ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[[amino-(4-propan-2-yloxyanilino)methylidene]amino]ethyl]-2,2-dimethylpropanamide is CC(C)Oc1ccc(N/C(N)=N/CCNC(=O)C(C)(C)C)cc1.
What is the InChIKey of N-[2-[[amino-(4-propan-2-yloxyanilino)methylidene]amino]ethyl]-2,2-dimethylpropanamide?
The InChIKey is LTCSEHVEZHGSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-12(2)23-14-8-6-13(7-9-14)21-16(18)20-11-10-19-15(22)17(3,4)5/h6-9,12H,10-11H2,1-5H3,(H,19,22)(H3,18,20,21).
What are the key properties of N-[2-[[amino-(4-propan-2-yloxyanilino)methylidene]amino]ethyl]-2,2-dimethylpropanamide?
N-[2-[[amino-(4-propan-2-yloxyanilino)methylidene]amino]ethyl]-2,2-dimethylpropanamide has a molecular weight of 320.44 g/mol, XLogP of 2.36, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[amino-(4-propan-2-yloxyanilino)methylidene]amino]ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 111095030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).