N-[[4-[2-(N-hydrazinylidenecarbamimidoyl)phenyl]phenyl]methyl]-N-(3-methylbutan-2-yl)pentanamide

C24H33N5O — CID 169122311

IUPACN-[[4-[2-(N-hydrazinylidenecarbamimidoyl)phenyl]phenyl]methyl]-N-(3-methylbutan-2-yl)pentanamide
SMILES[H]/N=C(\N=N\N)c1ccccc1-c1ccc(CN(C(=O)CCCC)C(C)C(C)C)cc1
InChIInChI=1S/C24H33N5O/c1-5-6-11-23(30)29(18(4)17(2)3)16-19-12-14-20(15-13-19)21-9-7-8-10-22(21)24(25)27-28-26/h7-10,12-15,17-18H,5-6,11,16H2,1-4H3,(H3,25,26,27)
InChIKeyIOSVHBCNYFSBQN-UHFFFAOYSA-N
MW407.56 g/mol
LogP5.57
Rot. Bonds9

About N-[[4-[2-(N-hydrazinylidenecarbamimidoyl)phenyl]phenyl]methyl]-N-(3-methylbutan-2-yl)pentanamide

N-[[4-[2-(N-hydrazinylidenecarbamimidoyl)phenyl]phenyl]methyl]-N-(3-methylbutan-2-yl)pentanamide (PubChem CID 169122311) has the molecular formula C24H33N5O and a molecular weight of 407.56 g/mol. Its IUPAC name is N-[[4-[2-(N-hydrazinylidenecarbamimidoyl)phenyl]phenyl]methyl]-N-(3-methylbutan-2-yl)pentanamide.

Molecular Properties

Compound NameN-[[4-[2-(N-hydrazinylidenecarbamimidoyl)phenyl]phenyl]methyl]-N-(3-methylbutan-2-yl)pentanamide
PubChem CID169122311
Molecular FormulaC24H33N5O
Molecular Weight407.56 g/mol
Exact Mass407.27
IUPAC NameN-[[4-[2-(N-hydrazinylidenecarbamimidoyl)phenyl]phenyl]methyl]-N-(3-methylbutan-2-yl)pentanamide
SMILES[H]/N=C(\N=N\N)c1ccccc1-c1ccc(CN(C(=O)CCCC)C(C)C(C)C)cc1
InChIInChI=1S/C24H33N5O/c1-5-6-11-23(30)29(18(4)17(2)3)16-19-12-14-20(15-13-19)21-9-7-8-10-22(21)24(25)27-28-26/h7-10,12-15,17-18H,5-6,11,16H2,1-4H3,(H3,25,26,27)
InChIKeyIOSVHBCNYFSBQN-UHFFFAOYSA-N
XLogP5.57
TPSA94.90 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.56
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

benzyl (2S)-2-[hex-1-en-2-yl-[[4-[2-(N-hydrazinylidenecarbamimidoyl)phenyl]phenyl]methyl]amino]-3-methylbutanoate
CID 67558522
methyl 2-[[4-[2-[(Z)-C-aminocarbonohydrazonoyl]phenyl]phenyl]methyl-pentanoylamino]-3-methylbutanoate
CID 144597321
N-[[4-[2-[(Z)-C-aminocarbonohydrazonoyl]phenyl]phenyl]methyl]-N-[(2S)-3-amino-1-oxobutan-2-yl]pentanamide
CID 145267743
N-[[4-[2-[(Z)-C-aminocarbonohydrazonoyl]phenyl]phenyl]methyl]-N-[(2S)-1-amino-3-oxopropan-2-yl]pentanamide
CID 126671892
2-[[4-[2-(N'-hydrazinylcarbamimidoyl)phenyl]phenyl]methyl-pentanoylamino]-3-methylbutanoic acid
CID 123607344
1-[amino-[(Z)-[amino-[2-[4-[[3-methylbutan-2-yl(pentanoyl)amino]methyl]phenyl]phenyl]methylidene]amino]amino]ethyl 4-nitrooxybutyl carbonate
CID 143266817
N-[[4-[2-[(hydrazinyl-λ3-iodanylidene)methyl]phenyl]phenyl]methyl]-N-[(3S)-2-methyl-4-oxopentan-3-yl]pentanamide
CID 142618890
2-[4-[[butanoyl-[(1S)-1-carboxy-2-methylpropyl]amino]methyl]phenyl]benzoic acid
CID 58153852
4-nitrooxybutyl 2-[[4-[2-[(Z)-N'-[amino(4-nitrooxybutoxycarbonyl)amino]carbamimidoyl]phenyl]phenyl]methyl-pentanoylamino]-3-methylbutanoate
CID 143266698
N-(2-methyl-4-oxopentan-3-yl)-N-[[4-[2-(4H-triazol-5-yl)phenyl]phenyl]methyl]pentanamide
CID 149236617
methyl (2R)-2-[[4-(2-cyanophenyl)phenyl]methyl-pentanoylamino]-3-methylbutanoate
CID 66577388
2-[4-[(N-pentanoylanilino)methyl]phenyl]benzoic acid
CID 159323400

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(N-hydrazinylidenecarbamimidoyl)phenyl]phenyl]methyl]-N-(3-methylbutan-2-yl)pentanamide?
The IUPAC name of N-[[4-[2-(N-hydrazinylidenecarbamimidoyl)phenyl]phenyl]methyl]-N-(3-methylbutan-2-yl)pentanamide (CID 169122311) is N-[[4-[2-(N-hydrazinylidenecarbamimidoyl)phenyl]phenyl]methyl]-N-(3-methylbutan-2-yl)pentanamide.
What is the SMILES notation for N-[[4-[2-(N-hydrazinylidenecarbamimidoyl)phenyl]phenyl]methyl]-N-(3-methylbutan-2-yl)pentanamide?
The canonical SMILES for N-[[4-[2-(N-hydrazinylidenecarbamimidoyl)phenyl]phenyl]methyl]-N-(3-methylbutan-2-yl)pentanamide is [H]/N=C(\N=N\N)c1ccccc1-c1ccc(CN(C(=O)CCCC)C(C)C(C)C)cc1.
What is the InChIKey of N-[[4-[2-(N-hydrazinylidenecarbamimidoyl)phenyl]phenyl]methyl]-N-(3-methylbutan-2-yl)pentanamide?
The InChIKey is IOSVHBCNYFSBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O/c1-5-6-11-23(30)29(18(4)17(2)3)16-19-12-14-20(15-13-19)21-9-7-8-10-22(21)24(25)27-28-26/h7-10,12-15,17-18H,5-6,11,16H2,1-4H3,(H3,25,26,27).
What are the key properties of N-[[4-[2-(N-hydrazinylidenecarbamimidoyl)phenyl]phenyl]methyl]-N-(3-methylbutan-2-yl)pentanamide?
N-[[4-[2-(N-hydrazinylidenecarbamimidoyl)phenyl]phenyl]methyl]-N-(3-methylbutan-2-yl)pentanamide has a molecular weight of 407.56 g/mol, XLogP of 5.57, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(N-hydrazinylidenecarbamimidoyl)phenyl]phenyl]methyl]-N-(3-methylbutan-2-yl)pentanamide is sourced from PubChem (CID 169122311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).