4-[2-[cyclopropylmethyl(propan-2-yl)amino]ethoxy]benzohydrazide

C16H25N3O2 — CID 63579475

IUPAC4-[2-[cyclopropylmethyl(propan-2-yl)amino]ethoxy]benzohydrazide
SMILESCC(C)N(CCOc1ccc(C(=O)NN)cc1)CC1CC1
InChIInChI=1S/C16H25N3O2/c1-12(2)19(11-13-3-4-13)9-10-21-15-7-5-14(6-8-15)16(20)18-17/h5-8,12-13H,3-4,9-11,17H2,1-2H3,(H,18,20)
InChIKeyHPKSJNFFYTXCGQ-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.79
Rot. Bonds8

About 4-[2-[cyclopropylmethyl(propan-2-yl)amino]ethoxy]benzohydrazide

4-[2-[cyclopropylmethyl(propan-2-yl)amino]ethoxy]benzohydrazide (PubChem CID 63579475) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 4-[2-[cyclopropylmethyl(propan-2-yl)amino]ethoxy]benzohydrazide.

Molecular Properties

Compound Name4-[2-[cyclopropylmethyl(propan-2-yl)amino]ethoxy]benzohydrazide
PubChem CID63579475
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name4-[2-[cyclopropylmethyl(propan-2-yl)amino]ethoxy]benzohydrazide
SMILESCC(C)N(CCOc1ccc(C(=O)NN)cc1)CC1CC1
InChIInChI=1S/C16H25N3O2/c1-12(2)19(11-13-3-4-13)9-10-21-15-7-5-14(6-8-15)16(20)18-17/h5-8,12-13H,3-4,9-11,17H2,1-2H3,(H,18,20)
InChIKeyHPKSJNFFYTXCGQ-UHFFFAOYSA-N
XLogP1.79
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[cyclopropylmethyl(methyl)amino]ethoxy]benzohydrazide
CID 55215002
4-[2-[cyclopropylmethyl(propan-2-yl)amino]ethoxy]aniline
CID 55001232
N-(cyclopropylmethyl)-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]propan-2-amine
CID 62413212
4-[2-[2-hydroxypropyl(methyl)amino]ethoxy]benzohydrazide
CID 55214410
3-[2-[cyclopropylmethyl(propan-2-yl)amino]ethoxy]aniline
CID 55001379
4-[2-[cyclopentyl(ethyl)amino]ethoxy]benzohydrazide
CID 63573866
4-[2-(2-cyclopropylethoxy)ethoxy]benzohydrazide
CID 106206530
4-[3-[cyclopropylmethyl(propan-2-yl)amino]propoxy]benzonitrile
CID 60967322
3-[2-[ethyl(propan-2-yl)amino]ethoxy]benzohydrazide
CID 63571761
4-[2-[ethyl(propyl)amino]ethoxy]benzohydrazide
CID 55213633
4-[2-(2-propan-2-yloxyethoxy)ethoxy]benzohydrazide
CID 63576109
4-pentoxybenzohydrazide
CID 2727702

Frequently Asked Questions

What is the IUPAC name of 4-[2-[cyclopropylmethyl(propan-2-yl)amino]ethoxy]benzohydrazide?
The IUPAC name of 4-[2-[cyclopropylmethyl(propan-2-yl)amino]ethoxy]benzohydrazide (CID 63579475) is 4-[2-[cyclopropylmethyl(propan-2-yl)amino]ethoxy]benzohydrazide.
What is the SMILES notation for 4-[2-[cyclopropylmethyl(propan-2-yl)amino]ethoxy]benzohydrazide?
The canonical SMILES for 4-[2-[cyclopropylmethyl(propan-2-yl)amino]ethoxy]benzohydrazide is CC(C)N(CCOc1ccc(C(=O)NN)cc1)CC1CC1.
What is the InChIKey of 4-[2-[cyclopropylmethyl(propan-2-yl)amino]ethoxy]benzohydrazide?
The InChIKey is HPKSJNFFYTXCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12(2)19(11-13-3-4-13)9-10-21-15-7-5-14(6-8-15)16(20)18-17/h5-8,12-13H,3-4,9-11,17H2,1-2H3,(H,18,20).
What are the key properties of 4-[2-[cyclopropylmethyl(propan-2-yl)amino]ethoxy]benzohydrazide?
4-[2-[cyclopropylmethyl(propan-2-yl)amino]ethoxy]benzohydrazide has a molecular weight of 291.40 g/mol, XLogP of 1.79, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[cyclopropylmethyl(propan-2-yl)amino]ethoxy]benzohydrazide is sourced from PubChem (CID 63579475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).