N-[[2-[(1-aminoethylideneamino)methyl]phenyl]methyl]-N-(2-amino-2-oxoethyl)-2,2-dimethylpropanamide

C17H26N4O2 — CID 142473522

IUPACN-[[2-[(1-aminoethylideneamino)methyl]phenyl]methyl]-N-(2-amino-2-oxoethyl)-2,2-dimethylpropanamide
SMILESC/C(N)=N\Cc1ccccc1CN(CC(N)=O)C(=O)C(C)(C)C
InChIInChI=1S/C17H26N4O2/c1-12(18)20-9-13-7-5-6-8-14(13)10-21(11-15(19)22)16(23)17(2,3)4/h5-8H,9-11H2,1-4H3,(H2,18,20)(H2,19,22)
InChIKeyHQVIVXKDYCIVBO-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.42
Rot. Bonds6

About N-[[2-[(1-aminoethylideneamino)methyl]phenyl]methyl]-N-(2-amino-2-oxoethyl)-2,2-dimethylpropanamide

N-[[2-[(1-aminoethylideneamino)methyl]phenyl]methyl]-N-(2-amino-2-oxoethyl)-2,2-dimethylpropanamide (PubChem CID 142473522) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[[2-[(1-aminoethylideneamino)methyl]phenyl]methyl]-N-(2-amino-2-oxoethyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[2-[(1-aminoethylideneamino)methyl]phenyl]methyl]-N-(2-amino-2-oxoethyl)-2,2-dimethylpropanamide
PubChem CID142473522
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC NameN-[[2-[(1-aminoethylideneamino)methyl]phenyl]methyl]-N-(2-amino-2-oxoethyl)-2,2-dimethylpropanamide
SMILESC/C(N)=N\Cc1ccccc1CN(CC(N)=O)C(=O)C(C)(C)C
InChIInChI=1S/C17H26N4O2/c1-12(18)20-9-13-7-5-6-8-14(13)10-21(11-15(19)22)16(23)17(2,3)4/h5-8H,9-11H2,1-4H3,(H2,18,20)(H2,19,22)
InChIKeyHQVIVXKDYCIVBO-UHFFFAOYSA-N
XLogP1.42
TPSA101.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[2-[(1-aminoethylideneamino)methyl]phenyl]methyl]-N-(2-amino-2-oxoethyl)-2,2-dimethylpropanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(1-aminoethylideneamino)methyl]phenyl]methyl]-N-(2-amino-2-oxoethyl)-2,2-dimethylpropanamide?
The IUPAC name of N-[[2-[(1-aminoethylideneamino)methyl]phenyl]methyl]-N-(2-amino-2-oxoethyl)-2,2-dimethylpropanamide (CID 142473522) is N-[[2-[(1-aminoethylideneamino)methyl]phenyl]methyl]-N-(2-amino-2-oxoethyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-[[2-[(1-aminoethylideneamino)methyl]phenyl]methyl]-N-(2-amino-2-oxoethyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-[[2-[(1-aminoethylideneamino)methyl]phenyl]methyl]-N-(2-amino-2-oxoethyl)-2,2-dimethylpropanamide is C/C(N)=N\Cc1ccccc1CN(CC(N)=O)C(=O)C(C)(C)C.
What is the InChIKey of N-[[2-[(1-aminoethylideneamino)methyl]phenyl]methyl]-N-(2-amino-2-oxoethyl)-2,2-dimethylpropanamide?
The InChIKey is HQVIVXKDYCIVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-12(18)20-9-13-7-5-6-8-14(13)10-21(11-15(19)22)16(23)17(2,3)4/h5-8H,9-11H2,1-4H3,(H2,18,20)(H2,19,22).
What are the key properties of N-[[2-[(1-aminoethylideneamino)methyl]phenyl]methyl]-N-(2-amino-2-oxoethyl)-2,2-dimethylpropanamide?
N-[[2-[(1-aminoethylideneamino)methyl]phenyl]methyl]-N-(2-amino-2-oxoethyl)-2,2-dimethylpropanamide has a molecular weight of 318.42 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(1-aminoethylideneamino)methyl]phenyl]methyl]-N-(2-amino-2-oxoethyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 142473522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).