N-[3-(4-butylbenzoyl)-4-hydrazinylphenyl]acetamide

C19H23N3O2 — CID 154008662

IUPACN-[3-(4-butylbenzoyl)-4-hydrazinylphenyl]acetamide
SMILESCCCCc1ccc(C(=O)c2cc(NC(C)=O)ccc2NN)cc1
InChIInChI=1S/C19H23N3O2/c1-3-4-5-14-6-8-15(9-7-14)19(24)17-12-16(21-13(2)23)10-11-18(17)22-20/h6-12,22H,3-5,20H2,1-2H3,(H,21,23)
InChIKeyLCRAHSOJKVVGJZ-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.50
Rot. Bonds7

About N-[3-(4-butylbenzoyl)-4-hydrazinylphenyl]acetamide

N-[3-(4-butylbenzoyl)-4-hydrazinylphenyl]acetamide (PubChem CID 154008662) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[3-(4-butylbenzoyl)-4-hydrazinylphenyl]acetamide.

Molecular Properties

Compound NameN-[3-(4-butylbenzoyl)-4-hydrazinylphenyl]acetamide
PubChem CID154008662
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-[3-(4-butylbenzoyl)-4-hydrazinylphenyl]acetamide
SMILESCCCCc1ccc(C(=O)c2cc(NC(C)=O)ccc2NN)cc1
InChIInChI=1S/C19H23N3O2/c1-3-4-5-14-6-8-15(9-7-14)19(24)17-12-16(21-13(2)23)10-11-18(17)22-20/h6-12,22H,3-5,20H2,1-2H3,(H,21,23)
InChIKeyLCRAHSOJKVVGJZ-UHFFFAOYSA-N
XLogP3.50
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-butyl-N-(3,4-dichlorophenyl)benzamide
CID 3618565
N-(3-acetamido-4-methoxyphenyl)-4-butylbenzamide
CID 24666778
(5-amino-2,4-dimethylphenyl)-(4-butylphenyl)methanone
CID 102706964
N,N'-bis(4-butylphenyl)oxamide
CID 3438016
5-[(4-butylbenzoyl)amino]-N-cyclopropyl-2-(dimethylamino)benzamide
CID 3967282
N-(2-bromo-4-butylphenyl)acetamide
CID 23274178
(4-butylphenyl)-(4-hydroxyphenyl)methanone
CID 22132679
(2-bromofuran-3-yl)-(4-butylphenyl)methanone
CID 106851240
N-[4-[(4-butylphenyl)sulfonylamino]phenyl]acetamide
CID 22774827
4-[[2-(4-butylphenyl)acetyl]amino]-N-methylbenzamide
CID 29442727
[4-(methylamino)phenyl]-(4-propylphenyl)methanone
CID 116917420
1-(4-butylphenyl)-3-(3,4-dimethylphenyl)urea
CID 108894025

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-butylbenzoyl)-4-hydrazinylphenyl]acetamide?
The IUPAC name of N-[3-(4-butylbenzoyl)-4-hydrazinylphenyl]acetamide (CID 154008662) is N-[3-(4-butylbenzoyl)-4-hydrazinylphenyl]acetamide.
What is the SMILES notation for N-[3-(4-butylbenzoyl)-4-hydrazinylphenyl]acetamide?
The canonical SMILES for N-[3-(4-butylbenzoyl)-4-hydrazinylphenyl]acetamide is CCCCc1ccc(C(=O)c2cc(NC(C)=O)ccc2NN)cc1.
What is the InChIKey of N-[3-(4-butylbenzoyl)-4-hydrazinylphenyl]acetamide?
The InChIKey is LCRAHSOJKVVGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-3-4-5-14-6-8-15(9-7-14)19(24)17-12-16(21-13(2)23)10-11-18(17)22-20/h6-12,22H,3-5,20H2,1-2H3,(H,21,23).
What are the key properties of N-[3-(4-butylbenzoyl)-4-hydrazinylphenyl]acetamide?
N-[3-(4-butylbenzoyl)-4-hydrazinylphenyl]acetamide has a molecular weight of 325.41 g/mol, XLogP of 3.50, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-butylbenzoyl)-4-hydrazinylphenyl]acetamide is sourced from PubChem (CID 154008662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).