N'-heptanoyl-4-(3-methylbutoxy)benzohydrazide

C19H30N2O3 — CID 54789257

IUPACN'-heptanoyl-4-(3-methylbutoxy)benzohydrazide
SMILESCCCCCCC(=O)NNC(=O)c1ccc(OCCC(C)C)cc1
InChIInChI=1S/C19H30N2O3/c1-4-5-6-7-8-18(22)20-21-19(23)16-9-11-17(12-10-16)24-14-13-15(2)3/h9-12,15H,4-8,13-14H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyIIAHGEFMVASJAC-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.84
Rot. Bonds10

About N'-heptanoyl-4-(3-methylbutoxy)benzohydrazide

N'-heptanoyl-4-(3-methylbutoxy)benzohydrazide (PubChem CID 54789257) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is N'-heptanoyl-4-(3-methylbutoxy)benzohydrazide.

Molecular Properties

Compound NameN'-heptanoyl-4-(3-methylbutoxy)benzohydrazide
PubChem CID54789257
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC NameN'-heptanoyl-4-(3-methylbutoxy)benzohydrazide
SMILESCCCCCCC(=O)NNC(=O)c1ccc(OCCC(C)C)cc1
InChIInChI=1S/C19H30N2O3/c1-4-5-6-7-8-18(22)20-21-19(23)16-9-11-17(12-10-16)24-14-13-15(2)3/h9-12,15H,4-8,13-14H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyIIAHGEFMVASJAC-UHFFFAOYSA-N
XLogP3.84
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.84
H-Bond Donors ≤ 52
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'-butanoyl-4-(3-methylbutoxy)benzohydrazide
CID 4927928
N'-heptanoyl-4-hexoxybenzohydrazide
CID 54789289
4-butoxy-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide
CID 4936465
N'-butanoyl-4-butoxybenzohydrazide
CID 17340318
4-heptoxy-N-[[[4-(3-methylbutoxy)benzoyl]amino]carbamothioyl]benzamide
CID 4951117
N-[4-[[[4-(3-methylbutoxy)benzoyl]amino]carbamoyl]phenyl]butanamide
CID 4948474
4-(3-methylbutoxy)-N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]benzamide
CID 4949606
N'-[4-(2-methylpropoxy)benzoyl]-4-pentoxybenzohydrazide
CID 4935435
N-[4-(3-methylbutoxy)phenyl]-4-pentoxybenzamide
CID 4949915
4-hexoxy-N'-(2-methylpropanoyl)benzohydrazide
CID 24677420
N'-(4-fluorobenzoyl)-4-(3-methylbutoxy)benzohydrazide
CID 4927856
4-dodecoxy-N-tridecanoylbenzamide
CID 14273876

Frequently Asked Questions

What is the IUPAC name of N'-heptanoyl-4-(3-methylbutoxy)benzohydrazide?
The IUPAC name of N'-heptanoyl-4-(3-methylbutoxy)benzohydrazide (CID 54789257) is N'-heptanoyl-4-(3-methylbutoxy)benzohydrazide.
What is the SMILES notation for N'-heptanoyl-4-(3-methylbutoxy)benzohydrazide?
The canonical SMILES for N'-heptanoyl-4-(3-methylbutoxy)benzohydrazide is CCCCCCC(=O)NNC(=O)c1ccc(OCCC(C)C)cc1.
What is the InChIKey of N'-heptanoyl-4-(3-methylbutoxy)benzohydrazide?
The InChIKey is IIAHGEFMVASJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-4-5-6-7-8-18(22)20-21-19(23)16-9-11-17(12-10-16)24-14-13-15(2)3/h9-12,15H,4-8,13-14H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N'-heptanoyl-4-(3-methylbutoxy)benzohydrazide?
N'-heptanoyl-4-(3-methylbutoxy)benzohydrazide has a molecular weight of 334.46 g/mol, XLogP of 3.84, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-heptanoyl-4-(3-methylbutoxy)benzohydrazide is sourced from PubChem (CID 54789257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).