N-[2-[2-[(4-butoxy-3-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide

C23H29N3O5 — CID 4289285

IUPACN-[2-[2-[(4-butoxy-3-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide
SMILESCCCCOc1ccc(C=NNC(=O)CNC(=O)c2ccccc2OC)cc1OCC
InChIInChI=1S/C23H29N3O5/c1-4-6-13-31-20-12-11-17(14-21(20)30-5-2)15-25-26-22(27)16-24-23(28)18-9-7-8-10-19(18)29-3/h7-12,14-15H,4-6,13,16H2,1-3H3,(H,24,28)(H,26,27)
InChIKeyPNRRJIYEBHAEBQ-UHFFFAOYSA-N
MW427.50 g/mol
LogP3.15
Rot. Bonds12

About N-[2-[2-[(4-butoxy-3-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide

N-[2-[2-[(4-butoxy-3-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide (PubChem CID 4289285) has the molecular formula C23H29N3O5 and a molecular weight of 427.50 g/mol. Its IUPAC name is N-[2-[2-[(4-butoxy-3-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[2-[(4-butoxy-3-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide
PubChem CID4289285
Molecular FormulaC23H29N3O5
Molecular Weight427.50 g/mol
Exact Mass427.21
IUPAC NameN-[2-[2-[(4-butoxy-3-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide
SMILESCCCCOc1ccc(C=NNC(=O)CNC(=O)c2ccccc2OC)cc1OCC
InChIInChI=1S/C23H29N3O5/c1-4-6-13-31-20-12-11-17(14-21(20)30-5-2)15-25-26-22(27)16-24-23(28)18-9-7-8-10-19(18)29-3/h7-12,14-15H,4-6,13,16H2,1-3H3,(H,24,28)(H,26,27)
InChIKeyPNRRJIYEBHAEBQ-UHFFFAOYSA-N
XLogP3.15
TPSA98.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-[(E)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-2-methoxybenzamide
CID 110505837
2-methoxy-N-[2-oxo-2-[2-[(4-propoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
CID 3400317
N-[2-[2-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide
CID 3477141
2-methoxy-N-[2-oxo-2-[2-[(3-propoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
CID 3948126
N-[[3-ethoxy-4-[3-(2-methoxyphenoxy)propoxy]phenyl]methylideneamino]acetamide
CID 3612099
4-butoxy-N-[2-[2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3470815
N-[2-[2-[(3-ethoxy-5-iodo-4-propan-2-yloxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide
CID 4234617
N-[2-[2-[(4-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide
CID 4311904
2-amino-N-[(E)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]benzamide
CID 110339969
N-[2-[(2Z)-2-[(3-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide
CID 6144612
4-[[[2-[(2-methoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]benzoic acid
CID 2195688
3-ethoxy-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 126324922

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(4-butoxy-3-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide?
The IUPAC name of N-[2-[2-[(4-butoxy-3-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide (CID 4289285) is N-[2-[2-[(4-butoxy-3-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-[2-[(4-butoxy-3-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide?
The canonical SMILES for N-[2-[2-[(4-butoxy-3-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide is CCCCOc1ccc(C=NNC(=O)CNC(=O)c2ccccc2OC)cc1OCC.
What is the InChIKey of N-[2-[2-[(4-butoxy-3-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide?
The InChIKey is PNRRJIYEBHAEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O5/c1-4-6-13-31-20-12-11-17(14-21(20)30-5-2)15-25-26-22(27)16-24-23(28)18-9-7-8-10-19(18)29-3/h7-12,14-15H,4-6,13,16H2,1-3H3,(H,24,28)(H,26,27).
What are the key properties of N-[2-[2-[(4-butoxy-3-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide?
N-[2-[2-[(4-butoxy-3-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide has a molecular weight of 427.50 g/mol, XLogP of 3.15, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(4-butoxy-3-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide is sourced from PubChem (CID 4289285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).