3-methoxy-N'-(3-phenylpropanoyl)-4-propan-2-yloxybenzohydrazide

C20H24N2O4 — CID 7972010

IUPAC3-methoxy-N'-(3-phenylpropanoyl)-4-propan-2-yloxybenzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)CCc2ccccc2)ccc1OC(C)C
InChIInChI=1S/C20H24N2O4/c1-14(2)26-17-11-10-16(13-18(17)25-3)20(24)22-21-19(23)12-9-15-7-5-4-6-8-15/h4-8,10-11,13-14H,9,12H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyJDPVUABZCBVEKP-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.88
Rot. Bonds7

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

3-methoxy-N'-(3-phenylpropanoyl)-4-propan-2-yloxybenzohydrazide (PubChem CID 7972010) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 3-methoxy-N'-(3-phenylpropanoyl)-4-propan-2-yloxybenzohydrazide.

Molecular Properties

Compound Name3-methoxy-N'-(3-phenylpropanoyl)-4-propan-2-yloxybenzohydrazide
PubChem CID7972010
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name3-methoxy-N'-(3-phenylpropanoyl)-4-propan-2-yloxybenzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)CCc2ccccc2)ccc1OC(C)C
InChIInChI=1S/C20H24N2O4/c1-14(2)26-17-11-10-16(13-18(17)25-3)20(24)22-21-19(23)12-9-15-7-5-4-6-8-15/h4-8,10-11,13-14H,9,12H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyJDPVUABZCBVEKP-UHFFFAOYSA-N
XLogP2.88
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.88
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

3,4-dimethoxy-N'-(3-phenylpropanoyl)benzohydrazide
CID 1107941
3-methoxy-N'-[2-(2-methoxyphenyl)acetyl]-4-propan-2-yloxybenzohydrazide
CID 4798027
3-methoxy-N'-[2-(2-methylphenyl)acetyl]-4-propan-2-yloxybenzohydrazide
CID 8621917
N'-(2,2-diphenylacetyl)-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 7972036
3,4-dimethoxy-N'-[4-(2-phenylethoxy)butanoyl]benzohydrazide
CID 55833812
1-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]-3-phenylurea
CID 18292224
N'-(3-methoxy-4-propan-2-yloxybenzoyl)furan-2-carbohydrazide
CID 17489065
N'-acetyl-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 46656614
3-methoxy-N'-[3-(methylsulfanylmethyl)benzoyl]-4-propan-2-yloxybenzohydrazide
CID 9160771
N-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]-N-methylbenzenesulfonamide
CID 46422657
N'-[2-[(2-chlorophenyl)methoxy]acetyl]-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 55789099
3-methoxy-N'-(3-methylbenzoyl)-4-propan-2-yloxybenzohydrazide
CID 26655769

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N'-(3-phenylpropanoyl)-4-propan-2-yloxybenzohydrazide?
The IUPAC name of 3-methoxy-N'-(3-phenylpropanoyl)-4-propan-2-yloxybenzohydrazide (CID 7972010) is 3-methoxy-N'-(3-phenylpropanoyl)-4-propan-2-yloxybenzohydrazide.
What is the SMILES notation for 3-methoxy-N'-(3-phenylpropanoyl)-4-propan-2-yloxybenzohydrazide?
The canonical SMILES for 3-methoxy-N'-(3-phenylpropanoyl)-4-propan-2-yloxybenzohydrazide is COc1cc(C(=O)NNC(=O)CCc2ccccc2)ccc1OC(C)C.
What is the InChIKey of 3-methoxy-N'-(3-phenylpropanoyl)-4-propan-2-yloxybenzohydrazide?
The InChIKey is JDPVUABZCBVEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-14(2)26-17-11-10-16(13-18(17)25-3)20(24)22-21-19(23)12-9-15-7-5-4-6-8-15/h4-8,10-11,13-14H,9,12H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 3-methoxy-N'-(3-phenylpropanoyl)-4-propan-2-yloxybenzohydrazide?
3-methoxy-N'-(3-phenylpropanoyl)-4-propan-2-yloxybenzohydrazide has a molecular weight of 356.42 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N'-(3-phenylpropanoyl)-4-propan-2-yloxybenzohydrazide is sourced from PubChem (CID 7972010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).