(2R)-2-azido-2-[4-methoxy-3,5-bis(phenylmethoxy)phenyl]-N-methylacetamide

C24H24N4O4 — CID 11487294

IUPAC(2R)-2-azido-2-[4-methoxy-3,5-bis(phenylmethoxy)phenyl]-N-methylacetamide
SMILESCNC(=O)[C@H](N=[N+]=[N-])c1cc(OCc2ccccc2)c(OC)c(OCc2ccccc2)c1
InChIInChI=1S/C24H24N4O4/c1-26-24(29)22(27-28-25)19-13-20(31-15-17-9-5-3-6-10-17)23(30-2)21(14-19)32-16-18-11-7-4-8-12-18/h3-14,22H,15-16H2,1-2H3,(H,26,29)/t22-/m1/s1
InChIKeyVNNBMADAMPLPNS-JOCHJYFZSA-N
MW432.48 g/mol
LogP4.95
Rot. Bonds10

About (2R)-2-azido-2-[4-methoxy-3,5-bis(phenylmethoxy)phenyl]-N-methylacetamide

(2R)-2-azido-2-[4-methoxy-3,5-bis(phenylmethoxy)phenyl]-N-methylacetamide (PubChem CID 11487294) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is (2R)-2-azido-2-[4-methoxy-3,5-bis(phenylmethoxy)phenyl]-N-methylacetamide.

Molecular Properties

Compound Name(2R)-2-azido-2-[4-methoxy-3,5-bis(phenylmethoxy)phenyl]-N-methylacetamide
PubChem CID11487294
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC Name(2R)-2-azido-2-[4-methoxy-3,5-bis(phenylmethoxy)phenyl]-N-methylacetamide
SMILESCNC(=O)[C@H](N=[N+]=[N-])c1cc(OCc2ccccc2)c(OC)c(OCc2ccccc2)c1
InChIInChI=1S/C24H24N4O4/c1-26-24(29)22(27-28-25)19-13-20(31-15-17-9-5-3-6-10-17)23(30-2)21(14-19)32-16-18-11-7-4-8-12-18/h3-14,22H,15-16H2,1-2H3,(H,26,29)/t22-/m1/s1
InChIKeyVNNBMADAMPLPNS-JOCHJYFZSA-N
XLogP4.95
TPSA105.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

(2S)-2-azido-2-(3-methoxy-5-phenylmethoxyphenyl)acetic acid
CID 10495384
4-(1-azidoethyl)-1-methoxy-2-phenylmethoxybenzene
CID 42625428
ethyl 3-[4-methoxy-3,5-bis(phenylmethoxy)phenyl]-3-oxopropanoate
CID 10741488
2-azido-N-methyl-2-naphthalen-1-ylacetamide
CID 10399381
3-(4-methoxy-3-phenylmethoxyphenyl)-3-oxo-2-(3,4,5-trimethoxyphenyl)propanenitrile
CID 141184872
2-phenylmethoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 1328288
benzyl N-[(1S)-2-[[(1R)-1-(3,5-dihydroxy-4-methoxyphenyl)-2-(methylamino)-2-oxoethyl]amino]-1-(3-methoxy-4-methyl-5-phenylmethoxyphenyl)-2-oxoethyl]carbamate
CID 11181274
1-(2,3,6-trimethoxy-4-phenylmethoxyphenyl)ethanone
CID 139365460
1-(4-methoxy-3-phenylmethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione
CID 141465485
4-methoxy-N-methyl-3-phenylmethoxybenzamide
CID 138553454
[acetyloxy-(4-methoxy-3-phenylmethoxyphenyl)methyl] acetate
CID 101183057
(2S)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]-N-methylpropanamide
CID 8694047

Frequently Asked Questions

What is the IUPAC name of (2R)-2-azido-2-[4-methoxy-3,5-bis(phenylmethoxy)phenyl]-N-methylacetamide?
The IUPAC name of (2R)-2-azido-2-[4-methoxy-3,5-bis(phenylmethoxy)phenyl]-N-methylacetamide (CID 11487294) is (2R)-2-azido-2-[4-methoxy-3,5-bis(phenylmethoxy)phenyl]-N-methylacetamide.
What is the SMILES notation for (2R)-2-azido-2-[4-methoxy-3,5-bis(phenylmethoxy)phenyl]-N-methylacetamide?
The canonical SMILES for (2R)-2-azido-2-[4-methoxy-3,5-bis(phenylmethoxy)phenyl]-N-methylacetamide is CNC(=O)[C@H](N=[N+]=[N-])c1cc(OCc2ccccc2)c(OC)c(OCc2ccccc2)c1.
What is the InChIKey of (2R)-2-azido-2-[4-methoxy-3,5-bis(phenylmethoxy)phenyl]-N-methylacetamide?
The InChIKey is VNNBMADAMPLPNS-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-26-24(29)22(27-28-25)19-13-20(31-15-17-9-5-3-6-10-17)23(30-2)21(14-19)32-16-18-11-7-4-8-12-18/h3-14,22H,15-16H2,1-2H3,(H,26,29)/t22-/m1/s1.
What are the key properties of (2R)-2-azido-2-[4-methoxy-3,5-bis(phenylmethoxy)phenyl]-N-methylacetamide?
(2R)-2-azido-2-[4-methoxy-3,5-bis(phenylmethoxy)phenyl]-N-methylacetamide has a molecular weight of 432.48 g/mol, XLogP of 4.95, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-azido-2-[4-methoxy-3,5-bis(phenylmethoxy)phenyl]-N-methylacetamide is sourced from PubChem (CID 11487294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).