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'}

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Related Compounds

2-[acetyl-[(2-aminophenyl)methyl]amino]acetamide
CID 43461279
2-[(2-tert-butylphenyl)methyl-(2,2-dimethylpropanoyl)amino]acetic acid
CID 159229213
methyl 2-[(2-tert-butylphenyl)methyl-(2,2-dimethylpropanoyl)amino]acetate
CID 159229214
methyl 2-[2,2-dimethylpropanoyl-[[2-(1-methoxyethyl)phenyl]methyl]amino]acetate
CID 160793774
2-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(2-methylprop-2-enyl)guanidine
CID 111034513
2-amino-N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-methylpropanamide
CID 61264658
3-[[N-ethyl-N'-[(2-ethylphenyl)methyl]carbamimidoyl]amino]-2,2-dimethylpropanamide;hydroiodide
CID 111636497
2-[[2-(diethylaminomethyl)phenyl]methyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111036327
2-[N-(2-amino-2-oxoethyl)-2-[(tert-butylamino)methyl]anilino]acetamide
CID 63072276
2-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1-(2-methylprop-2-enyl)guanidine
CID 111047580
N,N-bis(2-amino-2-oxoethyl)-2-(2-aminophenyl)acetamide
CID 55157593
2-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]guanidine;hydroiodide
CID 110893248

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).