(3R)-N,N-dibenzyl-3-(methoxymethoxy)hex-5-enamide

C22H27NO3 — CID 50900870

IUPAC(3R)-N,N-dibenzyl-3-(methoxymethoxy)hex-5-enamide
SMILESC=CC[C@H](CC(=O)N(Cc1ccccc1)Cc1ccccc1)OCOC
InChIInChI=1S/C22H27NO3/c1-3-10-21(26-18-25-2)15-22(24)23(16-19-11-6-4-7-12-19)17-20-13-8-5-9-14-20/h3-9,11-14,21H,1,10,15-18H2,2H3/t21-/m1/s1
InChIKeyBISYUSDVQHMEAG-OAQYLSRUSA-N
MW353.46 g/mol
LogP4.17
Rot. Bonds11

About (3R)-N,N-dibenzyl-3-(methoxymethoxy)hex-5-enamide

(3R)-N,N-dibenzyl-3-(methoxymethoxy)hex-5-enamide (PubChem CID 50900870) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is (3R)-N,N-dibenzyl-3-(methoxymethoxy)hex-5-enamide.

Molecular Properties

Compound Name(3R)-N,N-dibenzyl-3-(methoxymethoxy)hex-5-enamide
PubChem CID50900870
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Name(3R)-N,N-dibenzyl-3-(methoxymethoxy)hex-5-enamide
SMILESC=CC[C@H](CC(=O)N(Cc1ccccc1)Cc1ccccc1)OCOC
InChIInChI=1S/C22H27NO3/c1-3-10-21(26-18-25-2)15-22(24)23(16-19-11-6-4-7-12-19)17-20-13-8-5-9-14-20/h3-9,11-14,21H,1,10,15-18H2,2H3/t21-/m1/s1
InChIKeyBISYUSDVQHMEAG-OAQYLSRUSA-N
XLogP4.17
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(2S)-2-(methoxymethoxy)pent-4-enyl]benzene
CID 101457567
[(2R)-2-(methoxymethoxy)pent-4-enyl] benzoate
CID 121004547
(3R,4R)-N,N,N',N'-tetrabenzyl-3,4-dimethylhexanediamide
CID 100939572
[(4R,6S)-6-(methoxymethoxy)hept-1-en-4-yl]oxymethylbenzene
CID 71496897
N,N-dibenzylbut-3-enamide
CID 134848345
(2R,6S)-2,6-bis(methoxymethoxy)non-8-en-4-one
CID 56946981
N-benzyl-3-hydroxy-N-prop-2-enylpent-4-enamide
CID 134893638
methyl (2S)-2-[(R)-(dibenzylamino)-phenylmethyl]pent-4-enoate
CID 139191551
N'-benzyl-N,N'-bis(2-hydroxyethyl)-2-prop-2-enylbutanediamide
CID 4058759
4-amino-N-benzyl-3-methoxy-N-(2-phenylethyl)butanamide;hydrochloride
CID 120586577
4-amino-N-benzyl-3-methoxy-N-propylbutanamide;hydrochloride
CID 120586847
benzyl(methoxymethyl)carbamic acid
CID 67355531

Frequently Asked Questions

What is the IUPAC name of (3R)-N,N-dibenzyl-3-(methoxymethoxy)hex-5-enamide?
The IUPAC name of (3R)-N,N-dibenzyl-3-(methoxymethoxy)hex-5-enamide (CID 50900870) is (3R)-N,N-dibenzyl-3-(methoxymethoxy)hex-5-enamide.
What is the SMILES notation for (3R)-N,N-dibenzyl-3-(methoxymethoxy)hex-5-enamide?
The canonical SMILES for (3R)-N,N-dibenzyl-3-(methoxymethoxy)hex-5-enamide is C=CC[C@H](CC(=O)N(Cc1ccccc1)Cc1ccccc1)OCOC.
What is the InChIKey of (3R)-N,N-dibenzyl-3-(methoxymethoxy)hex-5-enamide?
The InChIKey is BISYUSDVQHMEAG-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H27NO3/c1-3-10-21(26-18-25-2)15-22(24)23(16-19-11-6-4-7-12-19)17-20-13-8-5-9-14-20/h3-9,11-14,21H,1,10,15-18H2,2H3/t21-/m1/s1.
What are the key properties of (3R)-N,N-dibenzyl-3-(methoxymethoxy)hex-5-enamide?
(3R)-N,N-dibenzyl-3-(methoxymethoxy)hex-5-enamide has a molecular weight of 353.46 g/mol, XLogP of 4.17, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,N-dibenzyl-3-(methoxymethoxy)hex-5-enamide is sourced from PubChem (CID 50900870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).