benzyl N-[1-(5-azido-6-methyloxan-2-yl)propyl]-N-benzylcarbamate

C24H30N4O3 — CID 167630590

IUPACbenzyl N-[1-(5-azido-6-methyloxan-2-yl)propyl]-N-benzylcarbamate
SMILESCCC(C1CCC(N=[N+]=[N-])C(C)O1)N(Cc1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C24H30N4O3/c1-3-22(23-15-14-21(26-27-25)18(2)31-23)28(16-19-10-6-4-7-11-19)24(29)30-17-20-12-8-5-9-13-20/h4-13,18,21-23H,3,14-17H2,1-2H3
InChIKeyODGSJKKUXNSIQA-UHFFFAOYSA-N
MW422.53 g/mol
LogP5.85
Rot. Bonds8

About benzyl N-[1-(5-azido-6-methyloxan-2-yl)propyl]-N-benzylcarbamate

benzyl N-[1-(5-azido-6-methyloxan-2-yl)propyl]-N-benzylcarbamate (PubChem CID 167630590) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is benzyl N-[1-(5-azido-6-methyloxan-2-yl)propyl]-N-benzylcarbamate.

Molecular Properties

Compound Namebenzyl N-[1-(5-azido-6-methyloxan-2-yl)propyl]-N-benzylcarbamate
PubChem CID167630590
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Namebenzyl N-[1-(5-azido-6-methyloxan-2-yl)propyl]-N-benzylcarbamate
SMILESCCC(C1CCC(N=[N+]=[N-])C(C)O1)N(Cc1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C24H30N4O3/c1-3-22(23-15-14-21(26-27-25)18(2)31-23)28(16-19-10-6-4-7-11-19)24(29)30-17-20-12-8-5-9-13-20/h4-13,18,21-23H,3,14-17H2,1-2H3
InChIKeyODGSJKKUXNSIQA-UHFFFAOYSA-N
XLogP5.85
TPSA87.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.53
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze benzyl N-[1-(5-azido-6-methyloxan-2-yl)propyl]-N-benzylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl N-[(1R)-1-[(2S,6R)-5-azido-6-[(2S,3S)-4,6-diazido-2,3-dihydroxycyclohexyl]oxan-2-yl]propyl]-N-benzylcarbamate
CID 167266421
benzyl N-[(1R)-1-[(2S)-5-azido-6-[(1R,2S,3S)-4,6-diazido-2,3-dihydroxycyclohexyl]oxan-2-yl]propyl]-N-benzylcarbamate
CID 167266388
[2-acetyloxy-4,6-diazido-3-[3-azido-6-[1-[benzyl(phenylmethoxycarbonyl)amino]propyl]oxan-2-yl]oxycyclohexyl] acetate
CID 166506811
benzyl N-[(1S)-1-[(2S,6R)-5-azido-6-[(2S,3S)-4,6-diazido-2,3-dihydroxycyclohexyl]oxan-2-yl]-2-fluoroethyl]-N-benzylcarbamate
CID 167266438
[(1S,2S)-3-[(2R,3R,6S)-3-amino-6-[(1S)-1-[benzyl(phenylmethoxycarbonyl)amino]propyl]oxan-2-yl]-4,6-diazido-2-hydroxycyclohexyl] acetate
CID 167267430
benzyl N-[(1R)-1-[(2S,6R)-5-azido-6-[(2S,3S)-4,6-diazido-2,3-dihydroxycyclohexyl]oxan-2-yl]-2-phenylmethoxyethyl]-N-benzylcarbamate
CID 167266551
benzyl N-[(1S)-1-[(2S,5R,6R)-5-azido-6-[(1R,2R,3S,4R,6S)-4,6-diazido-2,3-dihydroxycyclohexyl]oxyoxan-2-yl]-2-fluoroethyl]-N-benzylcarbamate;[(1S,2S,3R,4S,6R)-4,6-diazido-3-[(2R,3R,6S)-3-azido-6-[(1S)-1-[benzyl(phenylmethoxycarbonyl)amino]-2-fluoroethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl] acetate
CID 167542985
benzyl N-[(1S)-1-[(2S,5R,6R)-5-azido-6-[(1R,2R,3S,4R,6S)-4,6-diazido-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-azido-6-(azidomethyl)-5-hydroxy-4-methyloxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxan-2-yl]propyl]-N-benzylcarbamate
CID 167542675
benzyl N-[(1R)-1-[(2S,5R,6R)-5-azido-6-[(1R,2R,3S,4R,6S)-4,6-diazido-2-hydroxy-3-methylcyclohexyl]oxyoxan-2-yl]ethyl]-N-benzylcarbamate
CID 167546569
[(1S,2S,3R,4S,6R)-4,6-diazido-3-[(1S,2R,5R)-2-azido-5-[(1S)-1-[benzyl(phenylmethoxycarbonyl)amino]propyl]cyclohexyl]oxy-2-hydroxycyclohexyl] acetate
CID 166506753
[(2R,3R,4R,5S)-4-acetyloxy-3-[(2R,3R,4R,5S,6S)-5-acetyloxy-3-azido-6-(azidomethyl)-4-methyloxan-2-yl]oxy-5-[(1S,2S,3R,5S,6R)-2-acetyloxy-3,5-diazido-6-[(2R,3R,6S)-3-azido-6-[(1S)-1-[benzyl(phenylmethoxycarbonyl)amino]propyl]oxan-2-yl]oxycyclohexyl]oxyoxolan-2-yl]methyl acetate
CID 167542676
[(1S,2S,3R,4S,6R)-2-acetyloxy-4,6-diazido-3-[(2R,6S)-3-azido-6-[(1S)-1-[benzyl(phenylmethoxycarbonyl)amino]ethyl]oxan-2-yl]oxycyclohexyl] acetate
CID 164843841

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-(5-azido-6-methyloxan-2-yl)propyl]-N-benzylcarbamate?
The IUPAC name of benzyl N-[1-(5-azido-6-methyloxan-2-yl)propyl]-N-benzylcarbamate (CID 167630590) is benzyl N-[1-(5-azido-6-methyloxan-2-yl)propyl]-N-benzylcarbamate.
What is the SMILES notation for benzyl N-[1-(5-azido-6-methyloxan-2-yl)propyl]-N-benzylcarbamate?
The canonical SMILES for benzyl N-[1-(5-azido-6-methyloxan-2-yl)propyl]-N-benzylcarbamate is CCC(C1CCC(N=[N+]=[N-])C(C)O1)N(Cc1ccccc1)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[1-(5-azido-6-methyloxan-2-yl)propyl]-N-benzylcarbamate?
The InChIKey is ODGSJKKUXNSIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-3-22(23-15-14-21(26-27-25)18(2)31-23)28(16-19-10-6-4-7-11-19)24(29)30-17-20-12-8-5-9-13-20/h4-13,18,21-23H,3,14-17H2,1-2H3.
What are the key properties of benzyl N-[1-(5-azido-6-methyloxan-2-yl)propyl]-N-benzylcarbamate?
benzyl N-[1-(5-azido-6-methyloxan-2-yl)propyl]-N-benzylcarbamate has a molecular weight of 422.53 g/mol, XLogP of 5.85, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-(5-azido-6-methyloxan-2-yl)propyl]-N-benzylcarbamate is sourced from PubChem (CID 167630590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).