1-N',4-N'-bis[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]butanedihydrazide

C20H30N4O2 — CID 124926213

IUPAC1-N',4-N'-bis[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]butanedihydrazide
SMILESO=C(CCC(=O)NNC[C@@H]1C[C@H]2C=C[C@H]1C2)NNC[C@@H]1C[C@H]2C=C[C@H]1C2
InChIInChI=1S/C20H30N4O2/c25-19(23-21-11-17-9-13-1-3-15(17)7-13)5-6-20(26)24-22-12-18-10-14-2-4-16(18)8-14/h1-4,13-18,21-22H,5-12H2,(H,23,25)(H,24,26)/t13-,14-,15-,16-,17-,18-/m0/s1
InChIKeyHALFTDQUGCSREB-QQCJEOGWSA-N
MW358.49 g/mol
LogP1.43
Rot. Bonds9

About 1-N',4-N'-bis[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]butanedihydrazide

1-N',4-N'-bis[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]butanedihydrazide (PubChem CID 124926213) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 1-N',4-N'-bis[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]butanedihydrazide.

Molecular Properties

Compound Name1-N',4-N'-bis[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]butanedihydrazide
PubChem CID124926213
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name1-N',4-N'-bis[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]butanedihydrazide
SMILESO=C(CCC(=O)NNC[C@@H]1C[C@H]2C=C[C@H]1C2)NNC[C@@H]1C[C@H]2C=C[C@H]1C2
InChIInChI=1S/C20H30N4O2/c25-19(23-21-11-17-9-13-1-3-15(17)7-13)5-6-20(26)24-22-12-18-10-14-2-4-16(18)8-14/h1-4,13-18,21-22H,5-12H2,(H,23,25)(H,24,26)/t13-,14-,15-,16-,17-,18-/m0/s1
InChIKeyHALFTDQUGCSREB-QQCJEOGWSA-N
XLogP1.43
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 51.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[(2R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]acetamide
CID 130645148
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)hydroxylamine
CID 13440364
3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)propanoic acid
CID 43774822
[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl N-[[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methoxycarbonylamino]carbamate
CID 134883298
3-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1-dimethylurea
CID 24847532
1-[(1S)-2-bicyclo[2.2.1]hept-5-enyl]-N-chloromethanamine
CID 58543795
3-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]-N-cyclopentylpropanamide
CID 98220402
1-[[(2S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-[6-[[(2S)-2-bicyclo[2.2.1]hept-5-enyl]methylcarbamoylamino]hexyl]urea
CID 11835105
2-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]acetic acid
CID 102120201
2-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]ethanol
CID 98042869
2-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]ethanol
CID 7236700
2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)ethanol
CID 3154449

Frequently Asked Questions

What is the IUPAC name of 1-N',4-N'-bis[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]butanedihydrazide?
The IUPAC name of 1-N',4-N'-bis[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]butanedihydrazide (CID 124926213) is 1-N',4-N'-bis[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]butanedihydrazide.
What is the SMILES notation for 1-N',4-N'-bis[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]butanedihydrazide?
The canonical SMILES for 1-N',4-N'-bis[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]butanedihydrazide is O=C(CCC(=O)NNC[C@@H]1C[C@H]2C=C[C@H]1C2)NNC[C@@H]1C[C@H]2C=C[C@H]1C2.
What is the InChIKey of 1-N',4-N'-bis[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]butanedihydrazide?
The InChIKey is HALFTDQUGCSREB-QQCJEOGWSA-N. The full InChI is InChI=1S/C20H30N4O2/c25-19(23-21-11-17-9-13-1-3-15(17)7-13)5-6-20(26)24-22-12-18-10-14-2-4-16(18)8-14/h1-4,13-18,21-22H,5-12H2,(H,23,25)(H,24,26)/t13-,14-,15-,16-,17-,18-/m0/s1.
What are the key properties of 1-N',4-N'-bis[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]butanedihydrazide?
1-N',4-N'-bis[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]butanedihydrazide has a molecular weight of 358.49 g/mol, XLogP of 1.43, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',4-N'-bis[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]butanedihydrazide is sourced from PubChem (CID 124926213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).