N'-(4-methanehydrazonoylphenyl)-N-propylbutanediamide

C14H20N4O2 — CID 142639898

IUPACN'-(4-methanehydrazonoylphenyl)-N-propylbutanediamide
SMILESCCCNC(=O)CCC(=O)Nc1ccc(C=NN)cc1
InChIInChI=1S/C14H20N4O2/c1-2-9-16-13(19)7-8-14(20)18-12-5-3-11(4-6-12)10-17-15/h3-6,10H,2,7-9,15H2,1H3,(H,16,19)(H,18,20)
InChIKeyUYTYTEDNOYXLAJ-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.22
Rot. Bonds7

About N'-(4-methanehydrazonoylphenyl)-N-propylbutanediamide

N'-(4-methanehydrazonoylphenyl)-N-propylbutanediamide (PubChem CID 142639898) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is N'-(4-methanehydrazonoylphenyl)-N-propylbutanediamide.

Molecular Properties

Compound NameN'-(4-methanehydrazonoylphenyl)-N-propylbutanediamide
PubChem CID142639898
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC NameN'-(4-methanehydrazonoylphenyl)-N-propylbutanediamide
SMILESCCCNC(=O)CCC(=O)Nc1ccc(C=NN)cc1
InChIInChI=1S/C14H20N4O2/c1-2-9-16-13(19)7-8-14(20)18-12-5-3-11(4-6-12)10-17-15/h3-6,10H,2,7-9,15H2,1H3,(H,16,19)(H,18,20)
InChIKeyUYTYTEDNOYXLAJ-UHFFFAOYSA-N
XLogP1.22
TPSA96.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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,N'-bis(4-methanehydrazonoylphenyl)heptanediamide
CID 68508823
N'-(2,4-dimethylpentan-3-yl)-N-(4-methanehydrazonoylphenyl)butanediamide
CID 142639904
3-[[4-(4-methanehydrazonoylanilino)-4-oxobutanoyl]amino]oxy-3-oxopropanoic acid
CID 173253547
ethyl 3-[3-[(4-methanehydrazonoylphenyl)carbamothioylamino]propanoylamino]propanoate
CID 86747885
(3S)-4-hydroxy-3-[[4-(4-methanehydrazonoylanilino)-4-oxobutanoyl]amino]butanoic acid
CID 70061469
2-[[4-[[4-oxo-4-(propylamino)butanoyl]amino]benzoyl]amino]acetic acid
CID 119220461
N,N'-bis[4-(propylcarbamoyl)phenyl]hexanediamide
CID 17219362
N,N'-bis[4-(propylcarbamoyl)phenyl]pentanediamide
CID 17219363
3-cyclopropyl-2-[[4-(4-methanehydrazonoylanilino)-4-oxobutanoyl]amino]propanoic acid
CID 70210728
3-[[4-(4-methanehydrazonoylanilino)-4-oxobutanoyl]amino]hex-5-enoic acid
CID 70063052
2-methyl-3-[4-[[4-oxo-4-(propylamino)butanoyl]amino]phenyl]propanoic acid
CID 120541478
ethyl 3-[[4-(4-methanehydrazonoylanilino)-4-oxobutanoyl]amino]-5-trimethylsilylpent-4-ynoate
CID 70061349

Frequently Asked Questions

What is the IUPAC name of N'-(4-methanehydrazonoylphenyl)-N-propylbutanediamide?
The IUPAC name of N'-(4-methanehydrazonoylphenyl)-N-propylbutanediamide (CID 142639898) is N'-(4-methanehydrazonoylphenyl)-N-propylbutanediamide.
What is the SMILES notation for N'-(4-methanehydrazonoylphenyl)-N-propylbutanediamide?
The canonical SMILES for N'-(4-methanehydrazonoylphenyl)-N-propylbutanediamide is CCCNC(=O)CCC(=O)Nc1ccc(C=NN)cc1.
What is the InChIKey of N'-(4-methanehydrazonoylphenyl)-N-propylbutanediamide?
The InChIKey is UYTYTEDNOYXLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-2-9-16-13(19)7-8-14(20)18-12-5-3-11(4-6-12)10-17-15/h3-6,10H,2,7-9,15H2,1H3,(H,16,19)(H,18,20).
What are the key properties of N'-(4-methanehydrazonoylphenyl)-N-propylbutanediamide?
N'-(4-methanehydrazonoylphenyl)-N-propylbutanediamide has a molecular weight of 276.34 g/mol, XLogP of 1.22, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methanehydrazonoylphenyl)-N-propylbutanediamide is sourced from PubChem (CID 142639898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).