N'-(2,4-dimethylpentan-3-yl)-N-(4-methanehydrazonoylphenyl)butanediamide

C18H28N4O2 — CID 142639904

IUPACN'-(2,4-dimethylpentan-3-yl)-N-(4-methanehydrazonoylphenyl)butanediamide
SMILESCC(C)C(NC(=O)CCC(=O)Nc1ccc(C=NN)cc1)C(C)C
InChIInChI=1S/C18H28N4O2/c1-12(2)18(13(3)4)22-17(24)10-9-16(23)21-15-7-5-14(6-8-15)11-20-19/h5-8,11-13,18H,9-10,19H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyFDZMVNSSZBJOOK-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.49
Rot. Bonds8

About N'-(2,4-dimethylpentan-3-yl)-N-(4-methanehydrazonoylphenyl)butanediamide

N'-(2,4-dimethylpentan-3-yl)-N-(4-methanehydrazonoylphenyl)butanediamide (PubChem CID 142639904) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N'-(2,4-dimethylpentan-3-yl)-N-(4-methanehydrazonoylphenyl)butanediamide.

Molecular Properties

Compound NameN'-(2,4-dimethylpentan-3-yl)-N-(4-methanehydrazonoylphenyl)butanediamide
PubChem CID142639904
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC NameN'-(2,4-dimethylpentan-3-yl)-N-(4-methanehydrazonoylphenyl)butanediamide
SMILESCC(C)C(NC(=O)CCC(=O)Nc1ccc(C=NN)cc1)C(C)C
InChIInChI=1S/C18H28N4O2/c1-12(2)18(13(3)4)22-17(24)10-9-16(23)21-15-7-5-14(6-8-15)11-20-19/h5-8,11-13,18H,9-10,19H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyFDZMVNSSZBJOOK-UHFFFAOYSA-N
XLogP2.49
TPSA96.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.49
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
(3S)-4-hydroxy-3-[[4-(4-methanehydrazonoylanilino)-4-oxobutanoyl]amino]butanoic acid
CID 70061469
N'-(4-methanehydrazonoylphenyl)-N-propylbutanediamide
CID 142639898
3-[[4-(4-methanehydrazonoylanilino)-4-oxobutanoyl]amino]-5-methoxyhexanoic acid
CID 67877292
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
3-[[4-(4-methanehydrazonoylanilino)-4-oxobutanoyl]amino]oxy-3-oxopropanoic acid
CID 173253547
ethyl 3-[[4-(4-methanehydrazonoylanilino)-4-oxobutanoyl]amino]-5-trimethylsilylpent-4-ynoate
CID 70061349
[[4-(4-methanehydrazonoylanilino)-4-oxobutanoyl]amino] 2-(3,4-difluorophenyl)propanoate
CID 173251422
tert-butyl N-[4-[(E)-hydrazinylidenemethyl]phenyl]carbamate
CID 140873567
N,N'-bis(4-ethenylphenyl)butanediamide
CID 12519604
N-(4-methanehydrazonoylphenyl)-3-(6-oxooxan-2-yl)propanamide
CID 70077971

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-dimethylpentan-3-yl)-N-(4-methanehydrazonoylphenyl)butanediamide?
The IUPAC name of N'-(2,4-dimethylpentan-3-yl)-N-(4-methanehydrazonoylphenyl)butanediamide (CID 142639904) is N'-(2,4-dimethylpentan-3-yl)-N-(4-methanehydrazonoylphenyl)butanediamide.
What is the SMILES notation for N'-(2,4-dimethylpentan-3-yl)-N-(4-methanehydrazonoylphenyl)butanediamide?
The canonical SMILES for N'-(2,4-dimethylpentan-3-yl)-N-(4-methanehydrazonoylphenyl)butanediamide is CC(C)C(NC(=O)CCC(=O)Nc1ccc(C=NN)cc1)C(C)C.
What is the InChIKey of N'-(2,4-dimethylpentan-3-yl)-N-(4-methanehydrazonoylphenyl)butanediamide?
The InChIKey is FDZMVNSSZBJOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-12(2)18(13(3)4)22-17(24)10-9-16(23)21-15-7-5-14(6-8-15)11-20-19/h5-8,11-13,18H,9-10,19H2,1-4H3,(H,21,23)(H,22,24).
What are the key properties of N'-(2,4-dimethylpentan-3-yl)-N-(4-methanehydrazonoylphenyl)butanediamide?
N'-(2,4-dimethylpentan-3-yl)-N-(4-methanehydrazonoylphenyl)butanediamide has a molecular weight of 332.45 g/mol, XLogP of 2.49, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-dimethylpentan-3-yl)-N-(4-methanehydrazonoylphenyl)butanediamide is sourced from PubChem (CID 142639904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).