[(2R,3R)-2-azido-1-phenylmethoxyhexan-3-yl] acetate

C15H21N3O3 — CID 10108329

IUPAC[(2R,3R)-2-azido-1-phenylmethoxyhexan-3-yl] acetate
SMILESCCC[C@@H](OC(C)=O)[C@@H](COCc1ccccc1)N=[N+]=[N-]
InChIInChI=1S/C15H21N3O3/c1-3-7-15(21-12(2)19)14(17-18-16)11-20-10-13-8-5-4-6-9-13/h4-6,8-9,14-15H,3,7,10-11H2,1-2H3/t14-,15-/m1/s1
InChIKeyAWBSQJRIIAQLFS-HUUCEWRRSA-N
MW291.35 g/mol
LogP3.61
Rot. Bonds9

About [(2R,3R)-2-azido-1-phenylmethoxyhexan-3-yl] acetate

[(2R,3R)-2-azido-1-phenylmethoxyhexan-3-yl] acetate (PubChem CID 10108329) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is [(2R,3R)-2-azido-1-phenylmethoxyhexan-3-yl] acetate.

Molecular Properties

Compound Name[(2R,3R)-2-azido-1-phenylmethoxyhexan-3-yl] acetate
PubChem CID10108329
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name[(2R,3R)-2-azido-1-phenylmethoxyhexan-3-yl] acetate
SMILESCCC[C@@H](OC(C)=O)[C@@H](COCc1ccccc1)N=[N+]=[N-]
InChIInChI=1S/C15H21N3O3/c1-3-7-15(21-12(2)19)14(17-18-16)11-20-10-13-8-5-4-6-9-13/h4-6,8-9,14-15H,3,7,10-11H2,1-2H3/t14-,15-/m1/s1
InChIKeyAWBSQJRIIAQLFS-HUUCEWRRSA-N
XLogP3.61
TPSA84.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.61
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 [(2R,3R)-2-azido-1-phenylmethoxyhexan-3-yl] acetate 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

(2S,3S)-2-azido-1,3-bis(phenylmethoxy)octadecan-6-one
CID 46856229
[(2S,3S)-3-hydroxy-1,4-bis(phenylmethoxy)butan-2-yl] acetate
CID 101029598
[(2R,3S,4S)-2,3,4-triacetyloxy-5-phenylmethoxypentyl] acetate
CID 101133703
[(2R,4S,5R)-4-acetyloxy-5,6-dihydroxy-1-phenylmethoxyhexan-2-yl] acetate
CID 56590716
(2S,3S,4R)-4-azido-2,3,5-tris(phenylmethoxy)pentanal
CID 102408830
[(E,2S,3R)-2-azido-3-phenylmethoxyoctadec-4-enoxy]methylbenzene
CID 10413843
(2S)-2-azido-3-phenylmethoxypropan-1-ol
CID 10632133
(2S,3R,4S,5R)-2-azido-3,4,6-tris(phenylmethoxy)hexane-1,5-diol
CID 102034824
[(4R,8R)-8-methyl-6-methylidene-9-phenylmethoxynonan-4-yl] acetate
CID 53344420
(2R,3S)-3-azido-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxybutan-2-ol
CID 10247403
(2S,3S,4R)-2-azido-1-[(2S,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]-4-phenylmethoxybutoxy]-3-[(2-methylpropan-2-yl)oxy]octadecan-4-ol
CID 91576922
[(2R)-1-bromo-3-phenylmethoxypropan-2-yl] acetate
CID 118705262

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-2-azido-1-phenylmethoxyhexan-3-yl] acetate?
The IUPAC name of [(2R,3R)-2-azido-1-phenylmethoxyhexan-3-yl] acetate (CID 10108329) is [(2R,3R)-2-azido-1-phenylmethoxyhexan-3-yl] acetate.
What is the SMILES notation for [(2R,3R)-2-azido-1-phenylmethoxyhexan-3-yl] acetate?
The canonical SMILES for [(2R,3R)-2-azido-1-phenylmethoxyhexan-3-yl] acetate is CCC[C@@H](OC(C)=O)[C@@H](COCc1ccccc1)N=[N+]=[N-].
What is the InChIKey of [(2R,3R)-2-azido-1-phenylmethoxyhexan-3-yl] acetate?
The InChIKey is AWBSQJRIIAQLFS-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-3-7-15(21-12(2)19)14(17-18-16)11-20-10-13-8-5-4-6-9-13/h4-6,8-9,14-15H,3,7,10-11H2,1-2H3/t14-,15-/m1/s1.
What are the key properties of [(2R,3R)-2-azido-1-phenylmethoxyhexan-3-yl] acetate?
[(2R,3R)-2-azido-1-phenylmethoxyhexan-3-yl] acetate has a molecular weight of 291.35 g/mol, XLogP of 3.61, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-2-azido-1-phenylmethoxyhexan-3-yl] acetate is sourced from PubChem (CID 10108329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).