N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]cyclobutanecarbohydrazide

C16H22N2O4 — CID 9343434

IUPACN'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]cyclobutanecarbohydrazide
SMILESCCOc1ccc(O[C@@H](C)C(=O)NNC(=O)C2CCC2)cc1
InChIInChI=1S/C16H22N2O4/c1-3-21-13-7-9-14(10-8-13)22-11(2)15(19)17-18-16(20)12-5-4-6-12/h7-12H,3-6H2,1-2H3,(H,17,19)(H,18,20)/t11-/m0/s1
InChIKeyCMSIIKLTOHUHAE-NSHDSACASA-N
MW306.36 g/mol
LogP1.80
Rot. Bonds6

About N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]cyclobutanecarbohydrazide

N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]cyclobutanecarbohydrazide (PubChem CID 9343434) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]cyclobutanecarbohydrazide.

Molecular Properties

Compound NameN'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]cyclobutanecarbohydrazide
PubChem CID9343434
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC NameN'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]cyclobutanecarbohydrazide
SMILESCCOc1ccc(O[C@@H](C)C(=O)NNC(=O)C2CCC2)cc1
InChIInChI=1S/C16H22N2O4/c1-3-21-13-7-9-14(10-8-13)22-11(2)15(19)17-18-16(20)12-5-4-6-12/h7-12H,3-6H2,1-2H3,(H,17,19)(H,18,20)/t11-/m0/s1
InChIKeyCMSIIKLTOHUHAE-NSHDSACASA-N
XLogP1.80
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.80
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'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]cyclobutanecarbohydrazide
CID 9343438
(2R)-N'-(2-cyclopentylacetyl)-2-(4-ethoxyphenoxy)propanehydrazide
CID 9343458
N'-[2-(4-methylphenoxy)propanoyl]cyclopropanecarbohydrazide
CID 51165989
N'-[2-(4-ethoxyphenoxy)propanoyl]-2-phenoxypropanehydrazide
CID 42908805
N'-[2-(4-ethoxyphenoxy)propanoyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbohydrazide
CID 43006813
1-(1,3-benzoxazol-2-yl)-N'-[2-(4-ethoxyphenoxy)propanoyl]piperidine-4-carbohydrazide
CID 46697647
1-(adamantane-1-carbonyl)-N'-[2-(4-ethoxyphenoxy)propanoyl]pyrrolidine-2-carbohydrazide
CID 55343904
1-(3,5-dichlorobenzoyl)-N'-[2-(4-ethoxyphenoxy)propanoyl]pyrrolidine-2-carbohydrazide
CID 55605777
1-[[(2R)-2-(4-ethoxyphenoxy)propanoyl]amino]-3-(4-ethoxyphenyl)thiourea
CID 8679739
1-N',4-N'-bis[2-(3,4-dimethylphenoxy)propanoyl]cyclohexane-1,4-dicarbohydrazide
CID 17169729
N-[1-(4-ethoxyphenyl)ethyl]cyclobutanecarboxamide
CID 2918368
N'-[2-(3,4-dimethylphenoxy)propanoyl]cyclopropanecarbohydrazide
CID 17169360

Frequently Asked Questions

What is the IUPAC name of N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]cyclobutanecarbohydrazide?
The IUPAC name of N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]cyclobutanecarbohydrazide (CID 9343434) is N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]cyclobutanecarbohydrazide.
What is the SMILES notation for N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]cyclobutanecarbohydrazide?
The canonical SMILES for N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]cyclobutanecarbohydrazide is CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)C2CCC2)cc1.
What is the InChIKey of N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]cyclobutanecarbohydrazide?
The InChIKey is CMSIIKLTOHUHAE-NSHDSACASA-N. The full InChI is InChI=1S/C16H22N2O4/c1-3-21-13-7-9-14(10-8-13)22-11(2)15(19)17-18-16(20)12-5-4-6-12/h7-12H,3-6H2,1-2H3,(H,17,19)(H,18,20)/t11-/m0/s1.
What are the key properties of N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]cyclobutanecarbohydrazide?
N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]cyclobutanecarbohydrazide has a molecular weight of 306.36 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]cyclobutanecarbohydrazide is sourced from PubChem (CID 9343434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).