N'-[4-(2-phenylethoxy)butanoyl]-1H-pyrrole-2-carbohydrazide

C17H21N3O3 — CID 78893909

IUPACN'-[4-(2-phenylethoxy)butanoyl]-1H-pyrrole-2-carbohydrazide
SMILESO=C(CCCOCCc1ccccc1)NNC(=O)c1ccc[nH]1
InChIInChI=1S/C17H21N3O3/c21-16(19-20-17(22)15-8-4-11-18-15)9-5-12-23-13-10-14-6-2-1-3-7-14/h1-4,6-8,11,18H,5,9-10,12-13H2,(H,19,21)(H,20,22)
InChIKeyIJJBYEBLAVEWAP-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.82
Rot. Bonds8

About N'-[4-(2-phenylethoxy)butanoyl]-1H-pyrrole-2-carbohydrazide

N'-[4-(2-phenylethoxy)butanoyl]-1H-pyrrole-2-carbohydrazide (PubChem CID 78893909) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N'-[4-(2-phenylethoxy)butanoyl]-1H-pyrrole-2-carbohydrazide.

Molecular Properties

Compound NameN'-[4-(2-phenylethoxy)butanoyl]-1H-pyrrole-2-carbohydrazide
PubChem CID78893909
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN'-[4-(2-phenylethoxy)butanoyl]-1H-pyrrole-2-carbohydrazide
SMILESO=C(CCCOCCc1ccccc1)NNC(=O)c1ccc[nH]1
InChIInChI=1S/C17H21N3O3/c21-16(19-20-17(22)15-8-4-11-18-15)9-5-12-23-13-10-14-6-2-1-3-7-14/h1-4,6-8,11,18H,5,9-10,12-13H2,(H,19,21)(H,20,22)
InChIKeyIJJBYEBLAVEWAP-UHFFFAOYSA-N
XLogP1.82
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-oxo-4-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]butyl]benzamide
CID 78814112
N'-[3-(4-methoxyphenyl)propanoyl]-1H-pyrrole-2-carbohydrazide
CID 78815963
3,4-dimethoxy-N'-[4-(2-phenylethoxy)butanoyl]benzohydrazide
CID 55833812
N'-(3-propan-2-yloxypropanoyl)-1H-pyrrole-2-carbohydrazide
CID 78861087
N'-[2-(4-fluorophenoxy)propanoyl]-4-(2-phenylethoxy)butanehydrazide
CID 55821299
N'-[4-(2-methoxyethoxy)butanoyl]benzohydrazide
CID 47365652
3-[4-(2-phenylethoxy)butanoylamino]butanoic acid
CID 119220650
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-4-(2-phenylethoxy)butanamide
CID 51094975
N-(5-amino-2-methylphenyl)-4-(2-phenylethoxy)butanamide
CID 120569249
4-(2-phenylethoxy)-N-(2-piperidin-3-ylethyl)butanamide
CID 119556464
N'-(4-butylbenzoyl)-1H-pyrrole-2-carbohydrazide
CID 8968206
3-methyl-3-[4-(2-phenylethoxy)butanoylamino]pentanoic acid
CID 75429166

Frequently Asked Questions

What is the IUPAC name of N'-[4-(2-phenylethoxy)butanoyl]-1H-pyrrole-2-carbohydrazide?
The IUPAC name of N'-[4-(2-phenylethoxy)butanoyl]-1H-pyrrole-2-carbohydrazide (CID 78893909) is N'-[4-(2-phenylethoxy)butanoyl]-1H-pyrrole-2-carbohydrazide.
What is the SMILES notation for N'-[4-(2-phenylethoxy)butanoyl]-1H-pyrrole-2-carbohydrazide?
The canonical SMILES for N'-[4-(2-phenylethoxy)butanoyl]-1H-pyrrole-2-carbohydrazide is O=C(CCCOCCc1ccccc1)NNC(=O)c1ccc[nH]1.
What is the InChIKey of N'-[4-(2-phenylethoxy)butanoyl]-1H-pyrrole-2-carbohydrazide?
The InChIKey is IJJBYEBLAVEWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c21-16(19-20-17(22)15-8-4-11-18-15)9-5-12-23-13-10-14-6-2-1-3-7-14/h1-4,6-8,11,18H,5,9-10,12-13H2,(H,19,21)(H,20,22).
What are the key properties of N'-[4-(2-phenylethoxy)butanoyl]-1H-pyrrole-2-carbohydrazide?
N'-[4-(2-phenylethoxy)butanoyl]-1H-pyrrole-2-carbohydrazide has a molecular weight of 315.37 g/mol, XLogP of 1.82, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(2-phenylethoxy)butanoyl]-1H-pyrrole-2-carbohydrazide is sourced from PubChem (CID 78893909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).