N-benzyl-2-[[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methoxy]acetamide

C23H29NO5 — CID 10905421

IUPACN-benzyl-2-[[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methoxy]acetamide
SMILESCC1(C)O[C@@H](COCC(=O)NCc2ccccc2)[C@H](COCc2ccccc2)O1
InChIInChI=1S/C23H29NO5/c1-23(2)28-20(15-26-14-19-11-7-4-8-12-19)21(29-23)16-27-17-22(25)24-13-18-9-5-3-6-10-18/h3-12,20-21H,13-17H2,1-2H3,(H,24,25)/t20-,21-/m0/s1
InChIKeyJDHLYLFTUYKMJG-SFTDATJTSA-N
MW399.49 g/mol
LogP3.06
Rot. Bonds10

About N-benzyl-2-[[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methoxy]acetamide

N-benzyl-2-[[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methoxy]acetamide (PubChem CID 10905421) has the molecular formula C23H29NO5 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-benzyl-2-[[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methoxy]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methoxy]acetamide
PubChem CID10905421
Molecular FormulaC23H29NO5
Molecular Weight399.49 g/mol
Exact Mass399.20
IUPAC NameN-benzyl-2-[[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methoxy]acetamide
SMILESCC1(C)O[C@@H](COCC(=O)NCc2ccccc2)[C@H](COCc2ccccc2)O1
InChIInChI=1S/C23H29NO5/c1-23(2)28-20(15-26-14-19-11-7-4-8-12-19)21(29-23)16-27-17-22(25)24-13-18-9-5-3-6-10-18/h3-12,20-21H,13-17H2,1-2H3,(H,24,25)/t20-,21-/m0/s1
InChIKeyJDHLYLFTUYKMJG-SFTDATJTSA-N
XLogP3.06
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methoxy]acetamide?
The IUPAC name of N-benzyl-2-[[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methoxy]acetamide (CID 10905421) is N-benzyl-2-[[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methoxy]acetamide.
What is the SMILES notation for N-benzyl-2-[[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methoxy]acetamide?
The canonical SMILES for N-benzyl-2-[[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methoxy]acetamide is CC1(C)O[C@@H](COCC(=O)NCc2ccccc2)[C@H](COCc2ccccc2)O1.
What is the InChIKey of N-benzyl-2-[[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methoxy]acetamide?
The InChIKey is JDHLYLFTUYKMJG-SFTDATJTSA-N. The full InChI is InChI=1S/C23H29NO5/c1-23(2)28-20(15-26-14-19-11-7-4-8-12-19)21(29-23)16-27-17-22(25)24-13-18-9-5-3-6-10-18/h3-12,20-21H,13-17H2,1-2H3,(H,24,25)/t20-,21-/m0/s1.
What are the key properties of N-benzyl-2-[[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methoxy]acetamide?
N-benzyl-2-[[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methoxy]acetamide has a molecular weight of 399.49 g/mol, XLogP of 3.06, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methoxy]acetamide is sourced from PubChem (CID 10905421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).