N-[4-(2-hydrazinylethyl)phenyl]-4-(4-methoxyphenyl)butanamide

C19H25N3O2 — CID 77014314

IUPACN-[4-(2-hydrazinylethyl)phenyl]-4-(4-methoxyphenyl)butanamide
SMILESCOc1ccc(CCCC(=O)Nc2ccc(CCNN)cc2)cc1
InChIInChI=1S/C19H25N3O2/c1-24-18-11-7-15(8-12-18)3-2-4-19(23)22-17-9-5-16(6-10-17)13-14-21-20/h5-12,21H,2-4,13-14,20H2,1H3,(H,22,23)
InChIKeyLAXNNRGSYVUIAC-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.66
Rot. Bonds9

About N-[4-(2-hydrazinylethyl)phenyl]-4-(4-methoxyphenyl)butanamide

N-[4-(2-hydrazinylethyl)phenyl]-4-(4-methoxyphenyl)butanamide (PubChem CID 77014314) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[4-(2-hydrazinylethyl)phenyl]-4-(4-methoxyphenyl)butanamide.

Molecular Properties

Compound NameN-[4-(2-hydrazinylethyl)phenyl]-4-(4-methoxyphenyl)butanamide
PubChem CID77014314
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-[4-(2-hydrazinylethyl)phenyl]-4-(4-methoxyphenyl)butanamide
SMILESCOc1ccc(CCCC(=O)Nc2ccc(CCNN)cc2)cc1
InChIInChI=1S/C19H25N3O2/c1-24-18-11-7-15(8-12-18)3-2-4-19(23)22-17-9-5-16(6-10-17)13-14-21-20/h5-12,21H,2-4,13-14,20H2,1H3,(H,22,23)
InChIKeyLAXNNRGSYVUIAC-UHFFFAOYSA-N
XLogP2.66
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydrazinylethyl)phenyl]-4-(4-methoxyphenyl)butanamide?
The IUPAC name of N-[4-(2-hydrazinylethyl)phenyl]-4-(4-methoxyphenyl)butanamide (CID 77014314) is N-[4-(2-hydrazinylethyl)phenyl]-4-(4-methoxyphenyl)butanamide.
What is the SMILES notation for N-[4-(2-hydrazinylethyl)phenyl]-4-(4-methoxyphenyl)butanamide?
The canonical SMILES for N-[4-(2-hydrazinylethyl)phenyl]-4-(4-methoxyphenyl)butanamide is COc1ccc(CCCC(=O)Nc2ccc(CCNN)cc2)cc1.
What is the InChIKey of N-[4-(2-hydrazinylethyl)phenyl]-4-(4-methoxyphenyl)butanamide?
The InChIKey is LAXNNRGSYVUIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-24-18-11-7-15(8-12-18)3-2-4-19(23)22-17-9-5-16(6-10-17)13-14-21-20/h5-12,21H,2-4,13-14,20H2,1H3,(H,22,23).
What are the key properties of N-[4-(2-hydrazinylethyl)phenyl]-4-(4-methoxyphenyl)butanamide?
N-[4-(2-hydrazinylethyl)phenyl]-4-(4-methoxyphenyl)butanamide has a molecular weight of 327.43 g/mol, XLogP of 2.66, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydrazinylethyl)phenyl]-4-(4-methoxyphenyl)butanamide is sourced from PubChem (CID 77014314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).