N'-[2-(4-ethoxyphenoxy)propanoyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbohydrazide

C21H30N2O4 — CID 24625086

IUPACN'-[2-(4-ethoxyphenoxy)propanoyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbohydrazide
SMILESCCOc1ccc(OC(C)C(=O)NNC(=O)C2C(C=C(C)C)C2(C)C)cc1
InChIInChI=1S/C21H30N2O4/c1-7-26-15-8-10-16(11-9-15)27-14(4)19(24)22-23-20(25)18-17(12-13(2)3)21(18,5)6/h8-12,14,17-18H,7H2,1-6H3,(H,22,24)(H,23,25)
InChIKeyIHIFJQWYEHCGRA-UHFFFAOYSA-N
MW374.48 g/mol
LogP3.24
Rot. Bonds7

About N'-[2-(4-ethoxyphenoxy)propanoyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbohydrazide

N'-[2-(4-ethoxyphenoxy)propanoyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbohydrazide (PubChem CID 24625086) has the molecular formula C21H30N2O4 and a molecular weight of 374.48 g/mol. Its IUPAC name is N'-[2-(4-ethoxyphenoxy)propanoyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-ethoxyphenoxy)propanoyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbohydrazide
PubChem CID24625086
Molecular FormulaC21H30N2O4
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC NameN'-[2-(4-ethoxyphenoxy)propanoyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbohydrazide
SMILESCCOc1ccc(OC(C)C(=O)NNC(=O)C2C(C=C(C)C)C2(C)C)cc1
InChIInChI=1S/C21H30N2O4/c1-7-26-15-8-10-16(11-9-15)27-14(4)19(24)22-23-20(25)18-17(12-13(2)3)21(18,5)6/h8-12,14,17-18H,7H2,1-6H3,(H,22,24)(H,23,25)
InChIKeyIHIFJQWYEHCGRA-UHFFFAOYSA-N
XLogP3.24
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]cyclobutanecarbohydrazide
CID 9343438
N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]cyclobutanecarbohydrazide
CID 9343434
N'-[2-(4-ethoxyphenoxy)propanoyl]-2-phenoxypropanehydrazide
CID 42908805
(2S)-2-(4-ethoxyphenoxy)-N'-[(E)-3-(4-methylphenyl)prop-2-enoyl]propanehydrazide
CID 9343640
1-[[(2R)-2-(4-ethoxyphenoxy)propanoyl]amino]-3-(4-ethoxyphenyl)thiourea
CID 8679739
3,4-diethoxy-N'-[2-(4-ethoxyphenoxy)propanoyl]benzohydrazide
CID 43003826
(2R)-N'-(2-cyclopentylacetyl)-2-(4-ethoxyphenoxy)propanehydrazide
CID 9343458
N'-[2-(4-ethoxyphenoxy)propanoyl]-4-phenoxybutanehydrazide
CID 43003788
N-[1-[[2-(4-ethoxyphenoxy)propanoylamino]carbamoyl]cyclohexyl]acetamide
CID 55973737
1-[[(2R)-2-(4-ethoxyphenoxy)propanoyl]amino]-3-propylthiourea
CID 8768164
methyl 4-[[[(2S)-2-(4-ethoxyphenoxy)propanoyl]amino]carbamoyl]benzoate
CID 9343601
(2S)-2-(4-ethoxyphenoxy)-N'-(2-naphthalen-1-ylacetyl)propanehydrazide
CID 8960553

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-ethoxyphenoxy)propanoyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbohydrazide?
The IUPAC name of N'-[2-(4-ethoxyphenoxy)propanoyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbohydrazide (CID 24625086) is N'-[2-(4-ethoxyphenoxy)propanoyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbohydrazide.
What is the SMILES notation for N'-[2-(4-ethoxyphenoxy)propanoyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbohydrazide?
The canonical SMILES for N'-[2-(4-ethoxyphenoxy)propanoyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbohydrazide is CCOc1ccc(OC(C)C(=O)NNC(=O)C2C(C=C(C)C)C2(C)C)cc1.
What is the InChIKey of N'-[2-(4-ethoxyphenoxy)propanoyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbohydrazide?
The InChIKey is IHIFJQWYEHCGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O4/c1-7-26-15-8-10-16(11-9-15)27-14(4)19(24)22-23-20(25)18-17(12-13(2)3)21(18,5)6/h8-12,14,17-18H,7H2,1-6H3,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(4-ethoxyphenoxy)propanoyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbohydrazide?
N'-[2-(4-ethoxyphenoxy)propanoyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbohydrazide has a molecular weight of 374.48 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-ethoxyphenoxy)propanoyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbohydrazide is sourced from PubChem (CID 24625086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).