tert-butyl N-[3-oxo-3-[(2Z)-2-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinyl]propyl]carbamate

C18H31N3O3 — CID 9372150

IUPACtert-butyl N-[3-oxo-3-[(2Z)-2-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinyl]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(=O)N/N=C1/C[C@@H]2CC[C@@]1(C)C2(C)C
InChIInChI=1S/C18H31N3O3/c1-16(2,3)24-15(23)19-10-8-14(22)21-20-13-11-12-7-9-18(13,6)17(12,4)5/h12H,7-11H2,1-6H3,(H,19,23)(H,21,22)/b20-13-/t12-,18+/m0/s1
InChIKeyOUVCYGXOHWKKNA-VVMZBNJISA-N
MW337.46 g/mol
LogP3.22
Rot. Bonds4

About tert-butyl N-[3-oxo-3-[(2Z)-2-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinyl]propyl]carbamate

tert-butyl N-[3-oxo-3-[(2Z)-2-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinyl]propyl]carbamate (PubChem CID 9372150) has the molecular formula C18H31N3O3 and a molecular weight of 337.46 g/mol. Its IUPAC name is tert-butyl N-[3-oxo-3-[(2Z)-2-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinyl]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-oxo-3-[(2Z)-2-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinyl]propyl]carbamate
PubChem CID9372150
Molecular FormulaC18H31N3O3
Molecular Weight337.46 g/mol
Exact Mass337.24
IUPAC Nametert-butyl N-[3-oxo-3-[(2Z)-2-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinyl]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(=O)N/N=C1/C[C@@H]2CC[C@@]1(C)C2(C)C
InChIInChI=1S/C18H31N3O3/c1-16(2,3)24-15(23)19-10-8-14(22)21-20-13-11-12-7-9-18(13,6)17(12,4)5/h12H,7-11H2,1-6H3,(H,19,23)(H,21,22)/b20-13-/t12-,18+/m0/s1
InChIKeyOUVCYGXOHWKKNA-VVMZBNJISA-N
XLogP3.22
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze tert-butyl N-[3-oxo-3-[(2Z)-2-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinyl]propyl]carbamate with MolForge

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Related Compounds

ethyl N-[(Z)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]carbamate
CID 9370610
tert-butyl N-[4-[[(Z)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]carbamoyl]phenyl]carbamate
CID 9371997
2-(4-methoxyphenyl)-N-[(Z)-[(1R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]acetamide
CID 23327872
3-(4-methylphenyl)sulfonyl-N-[(Z)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]propanamide
CID 9371083
4-bromo-N-[2-oxo-2-[(2E)-2-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinyl]ethyl]benzamide
CID 9371020
4-ethoxy-N-[2-oxo-2-[(2Z)-2-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinyl]ethyl]benzamide
CID 9371123
4-ethoxy-N-[2-oxo-2-[(2Z)-2-[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinyl]ethyl]benzamide
CID 23327938
2-(2-fluorophenoxy)-N-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]acetamide
CID 74042000
1-cyclohexyl-3-[(Z)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]urea
CID 6160811
2-(3-methylphenoxy)-N-[(Z)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]acetamide
CID 9371026
3-(3-methyl-4-oxoquinazolin-2-yl)-N-[(Z)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]propanamide
CID 9087338
N-[(Z)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]benzamide
CID 7129928

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-oxo-3-[(2Z)-2-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinyl]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-oxo-3-[(2Z)-2-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinyl]propyl]carbamate (CID 9372150) is tert-butyl N-[3-oxo-3-[(2Z)-2-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinyl]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-oxo-3-[(2Z)-2-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinyl]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-oxo-3-[(2Z)-2-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinyl]propyl]carbamate is CC(C)(C)OC(=O)NCCC(=O)N/N=C1/C[C@@H]2CC[C@@]1(C)C2(C)C.
What is the InChIKey of tert-butyl N-[3-oxo-3-[(2Z)-2-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinyl]propyl]carbamate?
The InChIKey is OUVCYGXOHWKKNA-VVMZBNJISA-N. The full InChI is InChI=1S/C18H31N3O3/c1-16(2,3)24-15(23)19-10-8-14(22)21-20-13-11-12-7-9-18(13,6)17(12,4)5/h12H,7-11H2,1-6H3,(H,19,23)(H,21,22)/b20-13-/t12-,18+/m0/s1.
What are the key properties of tert-butyl N-[3-oxo-3-[(2Z)-2-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinyl]propyl]carbamate?
tert-butyl N-[3-oxo-3-[(2Z)-2-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinyl]propyl]carbamate has a molecular weight of 337.46 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-oxo-3-[(2Z)-2-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinyl]propyl]carbamate is sourced from PubChem (CID 9372150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).