N'-(2,2-diphenylacetyl)-3-methoxy-4-propan-2-yloxybenzohydrazide

C25H26N2O4 — CID 7972036

IUPACN'-(2,2-diphenylacetyl)-3-methoxy-4-propan-2-yloxybenzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)C(c2ccccc2)c2ccccc2)ccc1OC(C)C
InChIInChI=1S/C25H26N2O4/c1-17(2)31-21-15-14-20(16-22(21)30-3)24(28)26-27-25(29)23(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-17,23H,1-3H3,(H,26,28)(H,27,29)
InChIKeyGEFJCTSILWMLDK-UHFFFAOYSA-N
MW418.49 g/mol
LogP4.08
Rot. Bonds7

About N'-(2,2-diphenylacetyl)-3-methoxy-4-propan-2-yloxybenzohydrazide

N'-(2,2-diphenylacetyl)-3-methoxy-4-propan-2-yloxybenzohydrazide (PubChem CID 7972036) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is N'-(2,2-diphenylacetyl)-3-methoxy-4-propan-2-yloxybenzohydrazide.

Molecular Properties

Compound NameN'-(2,2-diphenylacetyl)-3-methoxy-4-propan-2-yloxybenzohydrazide
PubChem CID7972036
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC NameN'-(2,2-diphenylacetyl)-3-methoxy-4-propan-2-yloxybenzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)C(c2ccccc2)c2ccccc2)ccc1OC(C)C
InChIInChI=1S/C25H26N2O4/c1-17(2)31-21-15-14-20(16-22(21)30-3)24(28)26-27-25(29)23(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-17,23H,1-3H3,(H,26,28)(H,27,29)
InChIKeyGEFJCTSILWMLDK-UHFFFAOYSA-N
XLogP4.08
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-acetyl-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 46656614
3-methoxy-N'-[2-(2-methoxyphenyl)acetyl]-4-propan-2-yloxybenzohydrazide
CID 4798027
(2R)-2-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-2-phenylacetic acid
CID 119367895
3-methoxy-N'-(3-methylbenzoyl)-4-propan-2-yloxybenzohydrazide
CID 26655769
3-methoxy-N'-[2-(2-methylphenyl)acetyl]-4-propan-2-yloxybenzohydrazide
CID 8621917
3-methoxy-N'-(3-phenylpropanoyl)-4-propan-2-yloxybenzohydrazide
CID 7972010
1-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]-3-phenylurea
CID 18292224
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2,2-diphenylacetamide
CID 46440384
3-methoxy-N'-(4-methylsulfanylbenzoyl)-4-propan-2-yloxybenzohydrazide
CID 8621899
N'-(3-methoxy-4-propan-2-yloxybenzoyl)furan-2-carbohydrazide
CID 17489065
3-methoxy-N-(2-phenylbutyl)-4-propan-2-yloxybenzamide
CID 45351975
N-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]-2-methylbutanamide
CID 55930339

Frequently Asked Questions

What is the IUPAC name of N'-(2,2-diphenylacetyl)-3-methoxy-4-propan-2-yloxybenzohydrazide?
The IUPAC name of N'-(2,2-diphenylacetyl)-3-methoxy-4-propan-2-yloxybenzohydrazide (CID 7972036) is N'-(2,2-diphenylacetyl)-3-methoxy-4-propan-2-yloxybenzohydrazide.
What is the SMILES notation for N'-(2,2-diphenylacetyl)-3-methoxy-4-propan-2-yloxybenzohydrazide?
The canonical SMILES for N'-(2,2-diphenylacetyl)-3-methoxy-4-propan-2-yloxybenzohydrazide is COc1cc(C(=O)NNC(=O)C(c2ccccc2)c2ccccc2)ccc1OC(C)C.
What is the InChIKey of N'-(2,2-diphenylacetyl)-3-methoxy-4-propan-2-yloxybenzohydrazide?
The InChIKey is GEFJCTSILWMLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-17(2)31-21-15-14-20(16-22(21)30-3)24(28)26-27-25(29)23(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-17,23H,1-3H3,(H,26,28)(H,27,29).
What are the key properties of N'-(2,2-diphenylacetyl)-3-methoxy-4-propan-2-yloxybenzohydrazide?
N'-(2,2-diphenylacetyl)-3-methoxy-4-propan-2-yloxybenzohydrazide has a molecular weight of 418.49 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-diphenylacetyl)-3-methoxy-4-propan-2-yloxybenzohydrazide is sourced from PubChem (CID 7972036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).