N'-[1-(3-aminophenyl)ethylideneamino]-N-benzylbutanediamide

C19H22N4O2 — CID 3960617

IUPACN'-[1-(3-aminophenyl)ethylideneamino]-N-benzylbutanediamide
SMILESCC(=NNC(=O)CCC(=O)NCc1ccccc1)c1cccc(N)c1
InChIInChI=1S/C19H22N4O2/c1-14(16-8-5-9-17(20)12-16)22-23-19(25)11-10-18(24)21-13-15-6-3-2-4-7-15/h2-9,12H,10-11,13,20H2,1H3,(H,21,24)(H,23,25)
InChIKeyBLUWFECFPVZAJI-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.21
Rot. Bonds7

About N'-[1-(3-aminophenyl)ethylideneamino]-N-benzylbutanediamide

N'-[1-(3-aminophenyl)ethylideneamino]-N-benzylbutanediamide (PubChem CID 3960617) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N'-[1-(3-aminophenyl)ethylideneamino]-N-benzylbutanediamide.

Molecular Properties

Compound NameN'-[1-(3-aminophenyl)ethylideneamino]-N-benzylbutanediamide
PubChem CID3960617
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN'-[1-(3-aminophenyl)ethylideneamino]-N-benzylbutanediamide
SMILESCC(=NNC(=O)CCC(=O)NCc1ccccc1)c1cccc(N)c1
InChIInChI=1S/C19H22N4O2/c1-14(16-8-5-9-17(20)12-16)22-23-19(25)11-10-18(24)21-13-15-6-3-2-4-7-15/h2-9,12H,10-11,13,20H2,1H3,(H,21,24)(H,23,25)
InChIKeyBLUWFECFPVZAJI-UHFFFAOYSA-N
XLogP2.21
TPSA96.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(3-aminophenyl)ethylideneamino]-2-phenylacetamide
CID 968186
N-benzyl-N'-[1-(4-chlorophenyl)ethylideneamino]butanediamide
CID 3144325
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-anilinoacetamide
CID 7933322
N-benzyl-N'-[1-(furan-2-yl)ethylideneamino]butanediamide
CID 3424450
N,N'-bis[(E)-1-(3-aminophenyl)ethylideneamino]oxamide
CID 19685958
N-[1-(3-aminophenyl)ethylideneamino]-2-naphthalen-1-yloxyacetamide
CID 922110
4-[[(E)-1-(3-aminophenyl)ethylideneamino]carbamoylamino]butanoic acid
CID 16659031
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(2-methylanilino)acetamide
CID 6169324
ethyl (3E)-3-[[4-(benzylamino)-4-oxobutanoyl]hydrazinylidene]butanoate
CID 5368572
ethyl (3Z)-3-[[4-(benzylamino)-4-oxobutanoyl]hydrazinylidene]butanoate
CID 6273765
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 5419932
N-[1-(3-aminophenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide
CID 4080719

Frequently Asked Questions

What is the IUPAC name of N'-[1-(3-aminophenyl)ethylideneamino]-N-benzylbutanediamide?
The IUPAC name of N'-[1-(3-aminophenyl)ethylideneamino]-N-benzylbutanediamide (CID 3960617) is N'-[1-(3-aminophenyl)ethylideneamino]-N-benzylbutanediamide.
What is the SMILES notation for N'-[1-(3-aminophenyl)ethylideneamino]-N-benzylbutanediamide?
The canonical SMILES for N'-[1-(3-aminophenyl)ethylideneamino]-N-benzylbutanediamide is CC(=NNC(=O)CCC(=O)NCc1ccccc1)c1cccc(N)c1.
What is the InChIKey of N'-[1-(3-aminophenyl)ethylideneamino]-N-benzylbutanediamide?
The InChIKey is BLUWFECFPVZAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-14(16-8-5-9-17(20)12-16)22-23-19(25)11-10-18(24)21-13-15-6-3-2-4-7-15/h2-9,12H,10-11,13,20H2,1H3,(H,21,24)(H,23,25).
What are the key properties of N'-[1-(3-aminophenyl)ethylideneamino]-N-benzylbutanediamide?
N'-[1-(3-aminophenyl)ethylideneamino]-N-benzylbutanediamide has a molecular weight of 338.41 g/mol, XLogP of 2.21, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(3-aminophenyl)ethylideneamino]-N-benzylbutanediamide is sourced from PubChem (CID 3960617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).