N'-[2-(4-methoxyanilino)acetyl]-4-phenoxybutanehydrazide

C19H23N3O4 — CID 55350766

IUPACN'-[2-(4-methoxyanilino)acetyl]-4-phenoxybutanehydrazide
SMILESCOc1ccc(NCC(=O)NNC(=O)CCCOc2ccccc2)cc1
InChIInChI=1S/C19H23N3O4/c1-25-16-11-9-15(10-12-16)20-14-19(24)22-21-18(23)8-5-13-26-17-6-3-2-4-7-17/h2-4,6-7,9-12,20H,5,8,13-14H2,1H3,(H,21,23)(H,22,24)
InChIKeyQXFWLQNQCSKDJN-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.11
Rot. Bonds9

About N'-[2-(4-methoxyanilino)acetyl]-4-phenoxybutanehydrazide

N'-[2-(4-methoxyanilino)acetyl]-4-phenoxybutanehydrazide (PubChem CID 55350766) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is N'-[2-(4-methoxyanilino)acetyl]-4-phenoxybutanehydrazide.

Molecular Properties

Compound NameN'-[2-(4-methoxyanilino)acetyl]-4-phenoxybutanehydrazide
PubChem CID55350766
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC NameN'-[2-(4-methoxyanilino)acetyl]-4-phenoxybutanehydrazide
SMILESCOc1ccc(NCC(=O)NNC(=O)CCCOc2ccccc2)cc1
InChIInChI=1S/C19H23N3O4/c1-25-16-11-9-15(10-12-16)20-14-19(24)22-21-18(23)8-5-13-26-17-6-3-2-4-7-17/h2-4,6-7,9-12,20H,5,8,13-14H2,1H3,(H,21,23)(H,22,24)
InChIKeyQXFWLQNQCSKDJN-UHFFFAOYSA-N
XLogP2.11
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxyphenyl)-2-[4-(2-phenoxyethoxy)anilino]acetamide
CID 54823074
N-[(4-methoxyphenyl)methyl]-4-phenoxybutanamide
CID 2569863
N'-acetyl-4-phenoxybutanehydrazide
CID 30905746
2-(4-methoxyanilino)-N-phenylacetamide
CID 7636829
2-[4-(2-phenoxyethoxy)anilino]-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 54823077
(E)-N-[2-[2-[2-(4-methoxyanilino)acetyl]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide
CID 55350882
N'-[4-(4-methoxyphenoxy)butanoyl]pyridine-2-carbohydrazide
CID 9332515
N-[4-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]phenyl]butanamide
CID 54822685
4-methoxy-N-(2-phenoxyethyl)aniline
CID 39347663
N-[4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]propanamide
CID 54835679
N-[(4-methoxyphenyl)methyl]-4-(2-phenoxyethoxy)aniline
CID 54799583
N-[3-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]phenyl]hexanamide
CID 54822717

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-methoxyanilino)acetyl]-4-phenoxybutanehydrazide?
The IUPAC name of N'-[2-(4-methoxyanilino)acetyl]-4-phenoxybutanehydrazide (CID 55350766) is N'-[2-(4-methoxyanilino)acetyl]-4-phenoxybutanehydrazide.
What is the SMILES notation for N'-[2-(4-methoxyanilino)acetyl]-4-phenoxybutanehydrazide?
The canonical SMILES for N'-[2-(4-methoxyanilino)acetyl]-4-phenoxybutanehydrazide is COc1ccc(NCC(=O)NNC(=O)CCCOc2ccccc2)cc1.
What is the InChIKey of N'-[2-(4-methoxyanilino)acetyl]-4-phenoxybutanehydrazide?
The InChIKey is QXFWLQNQCSKDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-25-16-11-9-15(10-12-16)20-14-19(24)22-21-18(23)8-5-13-26-17-6-3-2-4-7-17/h2-4,6-7,9-12,20H,5,8,13-14H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N'-[2-(4-methoxyanilino)acetyl]-4-phenoxybutanehydrazide?
N'-[2-(4-methoxyanilino)acetyl]-4-phenoxybutanehydrazide has a molecular weight of 357.41 g/mol, XLogP of 2.11, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-methoxyanilino)acetyl]-4-phenoxybutanehydrazide is sourced from PubChem (CID 55350766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).