3-methoxy-N'-[3-(2-methylpropoxy)benzoyl]-4-propan-2-yloxybenzohydrazide

C22H28N2O5 — CID 8621873

IUPAC3-methoxy-N'-[3-(2-methylpropoxy)benzoyl]-4-propan-2-yloxybenzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2cccc(OCC(C)C)c2)ccc1OC(C)C
InChIInChI=1S/C22H28N2O5/c1-14(2)13-28-18-8-6-7-16(11-18)21(25)23-24-22(26)17-9-10-19(29-15(3)4)20(12-17)27-5/h6-12,14-15H,13H2,1-5H3,(H,23,25)(H,24,26)
InChIKeyVFRXSGMDDNRUAO-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.59
Rot. Bonds8

About 3-methoxy-N'-[3-(2-methylpropoxy)benzoyl]-4-propan-2-yloxybenzohydrazide

3-methoxy-N'-[3-(2-methylpropoxy)benzoyl]-4-propan-2-yloxybenzohydrazide (PubChem CID 8621873) has the molecular formula C22H28N2O5 and a molecular weight of 400.48 g/mol. Its IUPAC name is 3-methoxy-N'-[3-(2-methylpropoxy)benzoyl]-4-propan-2-yloxybenzohydrazide.

Molecular Properties

Compound Name3-methoxy-N'-[3-(2-methylpropoxy)benzoyl]-4-propan-2-yloxybenzohydrazide
PubChem CID8621873
Molecular FormulaC22H28N2O5
Molecular Weight400.48 g/mol
Exact Mass400.20
IUPAC Name3-methoxy-N'-[3-(2-methylpropoxy)benzoyl]-4-propan-2-yloxybenzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2cccc(OCC(C)C)c2)ccc1OC(C)C
InChIInChI=1S/C22H28N2O5/c1-14(2)13-28-18-8-6-7-16(11-18)21(25)23-24-22(26)17-9-10-19(29-15(3)4)20(12-17)27-5/h6-12,14-15H,13H2,1-5H3,(H,23,25)(H,24,26)
InChIKeyVFRXSGMDDNRUAO-UHFFFAOYSA-N
XLogP3.59
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-4-methoxy-N'-[3-(2-methylpropoxy)benzoyl]benzohydrazide
CID 17140438
3-methoxy-N'-(3-methylbenzoyl)-4-propan-2-yloxybenzohydrazide
CID 26655769
N'-acetyl-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 46656614
3-methoxy-N'-[3-(methylsulfanylmethyl)benzoyl]-4-propan-2-yloxybenzohydrazide
CID 9160771
N-(4,5-dimethoxy-2-methylphenyl)-3-(2-methylpropoxy)benzamide
CID 7589542
N'-[4-(difluoromethoxy)benzoyl]-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 26655758
3-methoxy-N'-[2-(2-methoxyphenyl)acetyl]-4-propan-2-yloxybenzohydrazide
CID 4798027
3-iodo-4-methoxy-N-[3-(2-methylpropoxy)phenyl]benzamide
CID 17079543
N-[3-[[(3-methoxy-4-propan-2-yloxybenzoyl)amino]carbamoyl]phenyl]-2,2-dimethylpropanamide
CID 30544601
N'-(2,2-diphenylacetyl)-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 7972036
2,3-dichloro-N'-(3-methoxy-4-propan-2-yloxybenzoyl)benzohydrazide
CID 26655741
N-[4-(2-methylpropoxy)phenyl]-3-propan-2-yloxybenzamide
CID 17142469

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N'-[3-(2-methylpropoxy)benzoyl]-4-propan-2-yloxybenzohydrazide?
The IUPAC name of 3-methoxy-N'-[3-(2-methylpropoxy)benzoyl]-4-propan-2-yloxybenzohydrazide (CID 8621873) is 3-methoxy-N'-[3-(2-methylpropoxy)benzoyl]-4-propan-2-yloxybenzohydrazide.
What is the SMILES notation for 3-methoxy-N'-[3-(2-methylpropoxy)benzoyl]-4-propan-2-yloxybenzohydrazide?
The canonical SMILES for 3-methoxy-N'-[3-(2-methylpropoxy)benzoyl]-4-propan-2-yloxybenzohydrazide is COc1cc(C(=O)NNC(=O)c2cccc(OCC(C)C)c2)ccc1OC(C)C.
What is the InChIKey of 3-methoxy-N'-[3-(2-methylpropoxy)benzoyl]-4-propan-2-yloxybenzohydrazide?
The InChIKey is VFRXSGMDDNRUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5/c1-14(2)13-28-18-8-6-7-16(11-18)21(25)23-24-22(26)17-9-10-19(29-15(3)4)20(12-17)27-5/h6-12,14-15H,13H2,1-5H3,(H,23,25)(H,24,26).
What are the key properties of 3-methoxy-N'-[3-(2-methylpropoxy)benzoyl]-4-propan-2-yloxybenzohydrazide?
3-methoxy-N'-[3-(2-methylpropoxy)benzoyl]-4-propan-2-yloxybenzohydrazide has a molecular weight of 400.48 g/mol, XLogP of 3.59, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N'-[3-(2-methylpropoxy)benzoyl]-4-propan-2-yloxybenzohydrazide is sourced from PubChem (CID 8621873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).