N-[1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]-3-(3,5-dimethylpyrazol-1-yl)propanamide

C19H26N4O3 — CID 3846512

IUPACN-[1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]-3-(3,5-dimethylpyrazol-1-yl)propanamide
SMILESCOc1ccc(CC(C)=NNC(=O)CCn2nc(C)cc2C)cc1OC
InChIInChI=1S/C19H26N4O3/c1-13(11-16-6-7-17(25-4)18(12-16)26-5)20-21-19(24)8-9-23-15(3)10-14(2)22-23/h6-7,10,12H,8-9,11H2,1-5H3,(H,21,24)
InChIKeyPLWNZHZBELPENJ-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.64
Rot. Bonds8

About N-[1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]-3-(3,5-dimethylpyrazol-1-yl)propanamide

N-[1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]-3-(3,5-dimethylpyrazol-1-yl)propanamide (PubChem CID 3846512) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]-3-(3,5-dimethylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]-3-(3,5-dimethylpyrazol-1-yl)propanamide
PubChem CID3846512
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC NameN-[1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]-3-(3,5-dimethylpyrazol-1-yl)propanamide
SMILESCOc1ccc(CC(C)=NNC(=O)CCn2nc(C)cc2C)cc1OC
InChIInChI=1S/C19H26N4O3/c1-13(11-16-6-7-17(25-4)18(12-16)26-5)20-21-19(24)8-9-23-15(3)10-14(2)22-23/h6-7,10,12H,8-9,11H2,1-5H3,(H,21,24)
InChIKeyPLWNZHZBELPENJ-UHFFFAOYSA-N
XLogP2.64
TPSA77.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]urea
CID 2732243
N-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]-2-(2,5-dimethylphenoxy)acetamide
CID 9316065
N-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]-3,5-dimethoxybenzamide
CID 9461207
2-(4-chloro-3-methylphenoxy)-N-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]acetamide
CID 9316814
2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide
CID 8871885
N-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]-4-propan-2-yloxybenzamide
CID 9215818
3-[[2-(3,4-dimethoxyphenyl)acetyl]hydrazinylidene]-N-(2-methylphenyl)butanamide
CID 2876719
methyl 2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]propanoate
CID 60727791
5-[(3,5-dimethylpyrazol-1-yl)methyl]-2-methoxybenzoic acid
CID 65339133
2-(1,3-benzothiazol-2-ylamino)-N-[(Z)-1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]acetamide
CID 9031104
3-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxyethoxy)propanamide
CID 79675653
N-[5-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-2-methoxyphenyl]benzamide
CID 46323299

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]-3-(3,5-dimethylpyrazol-1-yl)propanamide?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]-3-(3,5-dimethylpyrazol-1-yl)propanamide (CID 3846512) is N-[1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]-3-(3,5-dimethylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]-3-(3,5-dimethylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]-3-(3,5-dimethylpyrazol-1-yl)propanamide is COc1ccc(CC(C)=NNC(=O)CCn2nc(C)cc2C)cc1OC.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]-3-(3,5-dimethylpyrazol-1-yl)propanamide?
The InChIKey is PLWNZHZBELPENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-13(11-16-6-7-17(25-4)18(12-16)26-5)20-21-19(24)8-9-23-15(3)10-14(2)22-23/h6-7,10,12H,8-9,11H2,1-5H3,(H,21,24).
What are the key properties of N-[1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]-3-(3,5-dimethylpyrazol-1-yl)propanamide?
N-[1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]-3-(3,5-dimethylpyrazol-1-yl)propanamide has a molecular weight of 358.44 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]-3-(3,5-dimethylpyrazol-1-yl)propanamide is sourced from PubChem (CID 3846512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).