4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-N,N-dipropylbenzamide

C25H35N3O3 — CID 142639027

IUPAC4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(OCCCCCOc2ccc(C=NN)cc2)cc1
InChIInChI=1S/C25H35N3O3/c1-3-16-28(17-4-2)25(29)22-10-14-24(15-11-22)31-19-7-5-6-18-30-23-12-8-21(9-13-23)20-27-26/h8-15,20H,3-7,16-19,26H2,1-2H3
InChIKeyKTYSFNTUPNAUPA-UHFFFAOYSA-N
MW425.57 g/mol
LogP4.87
Rot. Bonds14

About 4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-N,N-dipropylbenzamide

4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-N,N-dipropylbenzamide (PubChem CID 142639027) has the molecular formula C25H35N3O3 and a molecular weight of 425.57 g/mol. Its IUPAC name is 4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-N,N-dipropylbenzamide.

Molecular Properties

Compound Name4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-N,N-dipropylbenzamide
PubChem CID142639027
Molecular FormulaC25H35N3O3
Molecular Weight425.57 g/mol
Exact Mass425.27
IUPAC Name4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(OCCCCCOc2ccc(C=NN)cc2)cc1
InChIInChI=1S/C25H35N3O3/c1-3-16-28(17-4-2)25(29)22-10-14-24(15-11-22)31-19-7-5-6-18-30-23-12-8-21(9-13-23)20-27-26/h8-15,20H,3-7,16-19,26H2,1-2H3
InChIKeyKTYSFNTUPNAUPA-UHFFFAOYSA-N
XLogP4.87
TPSA77.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.57
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-diethyl-4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-3-methoxybenzamide
CID 67744802
(4-heptoxyphenyl)methylidenehydrazine
CID 168529039
4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-N-phenyl-N-propan-2-ylbenzamide
CID 67908932
methyl 4-[3-(4-methanehydrazonoylphenoxy)propoxy]benzoate
CID 168531338
4-(methoxyiminomethyl)-N,N-dipropylbenzamide
CID 102603410
4-[(4-decoxyphenyl)iminomethyl]-N,N-bis(2-methylpropyl)benzamide
CID 101349514
3-chloro-4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-N,N-di(propan-2-yl)benzamide
CID 67744746
4-[[2-(4-hexoxyanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54820826
N,N-dicyclohexyl-4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-3-methoxybenzamide
CID 67744831
2-bromo-4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-N,N-di(propan-2-yl)benzamide;hydrochloride
CID 139616749
4-[(4-heptoxyphenyl)methylideneamino]benzoic acid
CID 43836038
N-(3-aminopropyl)-4-methoxy-N-propylbenzamide
CID 43136604

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-N,N-dipropylbenzamide?
The IUPAC name of 4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-N,N-dipropylbenzamide (CID 142639027) is 4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-N,N-dipropylbenzamide.
What is the SMILES notation for 4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-N,N-dipropylbenzamide?
The canonical SMILES for 4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-N,N-dipropylbenzamide is CCCN(CCC)C(=O)c1ccc(OCCCCCOc2ccc(C=NN)cc2)cc1.
What is the InChIKey of 4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-N,N-dipropylbenzamide?
The InChIKey is KTYSFNTUPNAUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O3/c1-3-16-28(17-4-2)25(29)22-10-14-24(15-11-22)31-19-7-5-6-18-30-23-12-8-21(9-13-23)20-27-26/h8-15,20H,3-7,16-19,26H2,1-2H3.
What are the key properties of 4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-N,N-dipropylbenzamide?
4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-N,N-dipropylbenzamide has a molecular weight of 425.57 g/mol, XLogP of 4.87, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-N,N-dipropylbenzamide is sourced from PubChem (CID 142639027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).