tert-butyl N-[1-[2-(3-methoxy-4-propoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]carbamate

C19H29N3O6 — CID 55561389

IUPACtert-butyl N-[1-[2-(3-methoxy-4-propoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]carbamate
SMILESCCCOc1ccc(C(=O)NNC(=O)C(C)NC(=O)OC(C)(C)C)cc1OC
InChIInChI=1S/C19H29N3O6/c1-7-10-27-14-9-8-13(11-15(14)26-6)17(24)22-21-16(23)12(2)20-18(25)28-19(3,4)5/h8-9,11-12H,7,10H2,1-6H3,(H,20,25)(H,21,23)(H,22,24)
InChIKeySNJDHXOKERDMSW-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.16
Rot. Bonds7

About tert-butyl N-[1-[2-(3-methoxy-4-propoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]carbamate

tert-butyl N-[1-[2-(3-methoxy-4-propoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]carbamate (PubChem CID 55561389) has the molecular formula C19H29N3O6 and a molecular weight of 395.46 g/mol. Its IUPAC name is tert-butyl N-[1-[2-(3-methoxy-4-propoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[2-(3-methoxy-4-propoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]carbamate
PubChem CID55561389
Molecular FormulaC19H29N3O6
Molecular Weight395.46 g/mol
Exact Mass395.21
IUPAC Nametert-butyl N-[1-[2-(3-methoxy-4-propoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]carbamate
SMILESCCCOc1ccc(C(=O)NNC(=O)C(C)NC(=O)OC(C)(C)C)cc1OC
InChIInChI=1S/C19H29N3O6/c1-7-10-27-14-9-8-13(11-15(14)26-6)17(24)22-21-16(23)12(2)20-18(25)28-19(3,4)5/h8-9,11-12H,7,10H2,1-6H3,(H,20,25)(H,21,23)(H,22,24)
InChIKeySNJDHXOKERDMSW-UHFFFAOYSA-N
XLogP2.16
TPSA114.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 tert-butyl N-[1-[2-(3-methoxy-4-propoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[2-(3-methoxy-4-propoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]carbamate (CID 55561389) is tert-butyl N-[1-[2-(3-methoxy-4-propoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[2-(3-methoxy-4-propoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[2-(3-methoxy-4-propoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]carbamate is CCCOc1ccc(C(=O)NNC(=O)C(C)NC(=O)OC(C)(C)C)cc1OC.
What is the InChIKey of tert-butyl N-[1-[2-(3-methoxy-4-propoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]carbamate?
The InChIKey is SNJDHXOKERDMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O6/c1-7-10-27-14-9-8-13(11-15(14)26-6)17(24)22-21-16(23)12(2)20-18(25)28-19(3,4)5/h8-9,11-12H,7,10H2,1-6H3,(H,20,25)(H,21,23)(H,22,24).
What are the key properties of tert-butyl N-[1-[2-(3-methoxy-4-propoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]carbamate?
tert-butyl N-[1-[2-(3-methoxy-4-propoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]carbamate has a molecular weight of 395.46 g/mol, XLogP of 2.16, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[2-(3-methoxy-4-propoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 55561389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).