N-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide

C20H29N3O5 — CID 4802996

IUPACN-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
SMILESCOc1cc(C(=O)NNC(=O)CNC(=O)C2CCCCC2)ccc1OC(C)C
InChIInChI=1S/C20H29N3O5/c1-13(2)28-16-10-9-15(11-17(16)27-3)20(26)23-22-18(24)12-21-19(25)14-7-5-4-6-8-14/h9-11,13-14H,4-8,12H2,1-3H3,(H,21,25)(H,22,24)(H,23,26)
InChIKeyJSVPRFALXBQCBK-UHFFFAOYSA-N
MW391.47 g/mol
LogP1.94
Rot. Bonds7

About N-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide

N-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide (PubChem CID 4802996) has the molecular formula C20H29N3O5 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
PubChem CID4802996
Molecular FormulaC20H29N3O5
Molecular Weight391.47 g/mol
Exact Mass391.21
IUPAC NameN-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
SMILESCOc1cc(C(=O)NNC(=O)CNC(=O)C2CCCCC2)ccc1OC(C)C
InChIInChI=1S/C20H29N3O5/c1-13(2)28-16-10-9-15(11-17(16)27-3)20(26)23-22-18(24)12-21-19(25)14-7-5-4-6-8-14/h9-11,13-14H,4-8,12H2,1-3H3,(H,21,25)(H,22,24)(H,23,26)
InChIKeyJSVPRFALXBQCBK-UHFFFAOYSA-N
XLogP1.94
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide (CID 4802996) is N-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide is COc1cc(C(=O)NNC(=O)CNC(=O)C2CCCCC2)ccc1OC(C)C.
What is the InChIKey of N-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide?
The InChIKey is JSVPRFALXBQCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O5/c1-13(2)28-16-10-9-15(11-17(16)27-3)20(26)23-22-18(24)12-21-19(25)14-7-5-4-6-8-14/h9-11,13-14H,4-8,12H2,1-3H3,(H,21,25)(H,22,24)(H,23,26).
What are the key properties of N-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide?
N-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide has a molecular weight of 391.47 g/mol, XLogP of 1.94, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide is sourced from PubChem (CID 4802996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).