3-[(1R,8S)-9-bicyclo[6.1.0]non-4-ynyl]-N-[2-[2-[2-[2-[3-(methylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide

C24H40N2O6 — CID 134575563

IUPAC3-[(1R,8S)-9-bicyclo[6.1.0]non-4-ynyl]-N-[2-[2-[2-[2-[3-(methylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
SMILESCNC(=O)CCOCCOCCOCCOCCNC(=O)CCC1[C@H]2CCC#CCC[C@@H]12
InChIInChI=1S/C24H40N2O6/c1-25-23(27)10-12-29-14-16-31-18-19-32-17-15-30-13-11-26-24(28)9-8-22-20-6-4-2-3-5-7-21(20)22/h20-22H,4-19H2,1H3,(H,25,27)(H,26,28)/t20-,21+,22?
InChIKeyFZIUCHBPDGCRRJ-CBQGHPETSA-N
MW452.59 g/mol
LogP1.52
Rot. Bonds18

About 3-[(1R,8S)-9-bicyclo[6.1.0]non-4-ynyl]-N-[2-[2-[2-[2-[3-(methylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide

3-[(1R,8S)-9-bicyclo[6.1.0]non-4-ynyl]-N-[2-[2-[2-[2-[3-(methylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide (PubChem CID 134575563) has the molecular formula C24H40N2O6 and a molecular weight of 452.59 g/mol. Its IUPAC name is 3-[(1R,8S)-9-bicyclo[6.1.0]non-4-ynyl]-N-[2-[2-[2-[2-[3-(methylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide.

Molecular Properties

Compound Name3-[(1R,8S)-9-bicyclo[6.1.0]non-4-ynyl]-N-[2-[2-[2-[2-[3-(methylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
PubChem CID134575563
Molecular FormulaC24H40N2O6
Molecular Weight452.59 g/mol
Exact Mass452.29
IUPAC Name3-[(1R,8S)-9-bicyclo[6.1.0]non-4-ynyl]-N-[2-[2-[2-[2-[3-(methylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
SMILESCNC(=O)CCOCCOCCOCCOCCNC(=O)CCC1[C@H]2CCC#CCC[C@@H]12
InChIInChI=1S/C24H40N2O6/c1-25-23(27)10-12-29-14-16-31-18-19-32-17-15-30-13-11-26-24(28)9-8-22-20-6-4-2-3-5-7-21(20)22/h20-22H,4-19H2,1H3,(H,25,27)(H,26,28)/t20-,21+,22?
InChIKeyFZIUCHBPDGCRRJ-CBQGHPETSA-N
XLogP1.52
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.59
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

9-bicyclo[6.1.0]non-4-ynylmethyl N-[2-[3-(methylamino)-3-oxopropoxy]ethyl]carbamate
CID 170175803
9-bicyclo[6.1.0]non-4-ynylmethyl N-[2-[2-[2-[2-[2-[2-[3-(butylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 170071872
N-methyl-3-[2-[2-(propanoylamino)ethoxy]ethoxy]propanamide
CID 163393368
N-methyl-N'-[2-(2-propoxyethoxy)ethyl]pentanediamide
CID 176584959
[(1R,8S)-9-bicyclo[6.1.0]non-4-ynyl]methyl N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 75412402
5-(2,3-dimethyl-1,4-dithiepan-5-yl)-N-[2-[2-[3-(methylamino)-3-oxopropoxy]ethoxy]ethyl]pentanamide
CID 159072571
[(1S,8R)-9-bicyclo[6.1.0]non-4-ynyl]methyl N-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 172948321
[(1R,8S)-9-bicyclo[6.1.0]non-4-ynyl]methyl N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 75412395
4-[iodo(methyl)amino]-N-[2-[2-[2-[2-[3-(methylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 155261158
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-(2-propoxyethoxy)propanamide;molecular hydrogen
CID 176987409
3-[2-(2-acetamidoethoxy)ethoxy]-N-(2-acetamidoethyl)propanamide
CID 142430015
9-bicyclo[6.1.0]non-4-ynylmethyl N-[2-[2-[2-[[(4Z)-9-bicyclo[6.1.0]non-4-enyl]methoxycarbonylamino]ethoxy]ethoxy]ethyl]carbamate
CID 137402895

Frequently Asked Questions

What is the IUPAC name of 3-[(1R,8S)-9-bicyclo[6.1.0]non-4-ynyl]-N-[2-[2-[2-[2-[3-(methylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide?
The IUPAC name of 3-[(1R,8S)-9-bicyclo[6.1.0]non-4-ynyl]-N-[2-[2-[2-[2-[3-(methylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide (CID 134575563) is 3-[(1R,8S)-9-bicyclo[6.1.0]non-4-ynyl]-N-[2-[2-[2-[2-[3-(methylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide.
What is the SMILES notation for 3-[(1R,8S)-9-bicyclo[6.1.0]non-4-ynyl]-N-[2-[2-[2-[2-[3-(methylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide?
The canonical SMILES for 3-[(1R,8S)-9-bicyclo[6.1.0]non-4-ynyl]-N-[2-[2-[2-[2-[3-(methylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide is CNC(=O)CCOCCOCCOCCOCCNC(=O)CCC1[C@H]2CCC#CCC[C@@H]12.
What is the InChIKey of 3-[(1R,8S)-9-bicyclo[6.1.0]non-4-ynyl]-N-[2-[2-[2-[2-[3-(methylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide?
The InChIKey is FZIUCHBPDGCRRJ-CBQGHPETSA-N. The full InChI is InChI=1S/C24H40N2O6/c1-25-23(27)10-12-29-14-16-31-18-19-32-17-15-30-13-11-26-24(28)9-8-22-20-6-4-2-3-5-7-21(20)22/h20-22H,4-19H2,1H3,(H,25,27)(H,26,28)/t20-,21+,22?.
What are the key properties of 3-[(1R,8S)-9-bicyclo[6.1.0]non-4-ynyl]-N-[2-[2-[2-[2-[3-(methylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide?
3-[(1R,8S)-9-bicyclo[6.1.0]non-4-ynyl]-N-[2-[2-[2-[2-[3-(methylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide has a molecular weight of 452.59 g/mol, XLogP of 1.52, 18 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,8S)-9-bicyclo[6.1.0]non-4-ynyl]-N-[2-[2-[2-[2-[3-(methylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide is sourced from PubChem (CID 134575563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).