2-(1,3-dioxan-2-yl)-N-[(S)-[(2S)-oxolan-2-yl]-phenylmethyl]acetamide

C17H23NO4 — CID 124625518

IUPAC2-(1,3-dioxan-2-yl)-N-[(S)-[(2S)-oxolan-2-yl]-phenylmethyl]acetamide
SMILESO=C(CC1OCCCO1)N[C@@H](c1ccccc1)[C@@H]1CCCO1
InChIInChI=1S/C17H23NO4/c19-15(12-16-21-10-5-11-22-16)18-17(14-8-4-9-20-14)13-6-2-1-3-7-13/h1-3,6-7,14,16-17H,4-5,8-12H2,(H,18,19)/t14-,17-/m0/s1
InChIKeyGKEZLPSJXGIKTC-YOEHRIQHSA-N
MW305.37 g/mol
LogP2.18
Rot. Bonds5

About 2-(1,3-dioxan-2-yl)-N-[(S)-[(2S)-oxolan-2-yl]-phenylmethyl]acetamide

2-(1,3-dioxan-2-yl)-N-[(S)-[(2S)-oxolan-2-yl]-phenylmethyl]acetamide (PubChem CID 124625518) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is 2-(1,3-dioxan-2-yl)-N-[(S)-[(2S)-oxolan-2-yl]-phenylmethyl]acetamide.

Molecular Properties

Compound Name2-(1,3-dioxan-2-yl)-N-[(S)-[(2S)-oxolan-2-yl]-phenylmethyl]acetamide
PubChem CID124625518
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name2-(1,3-dioxan-2-yl)-N-[(S)-[(2S)-oxolan-2-yl]-phenylmethyl]acetamide
SMILESO=C(CC1OCCCO1)N[C@@H](c1ccccc1)[C@@H]1CCCO1
InChIInChI=1S/C17H23NO4/c19-15(12-16-21-10-5-11-22-16)18-17(14-8-4-9-20-14)13-6-2-1-3-7-13/h1-3,6-7,14,16-17H,4-5,8-12H2,(H,18,19)/t14-,17-/m0/s1
InChIKeyGKEZLPSJXGIKTC-YOEHRIQHSA-N
XLogP2.18
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-N-[oxolan-2-yl(phenyl)methyl]acetamide
CID 119757394
4-amino-N-[(R)-[(2S)-oxolan-2-yl]-phenylmethyl]butanamide
CID 129397487
4-amino-N-[oxolan-2-yl(phenyl)methyl]pentanamide
CID 120561583
N-[oxolan-2-yl(phenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938079
2-(2-cyanophenoxy)-N-[(S)-[(2R)-oxolan-2-yl]-phenylmethyl]acetamide
CID 124606330
2-amino-N-[oxolan-2-yl(phenyl)methyl]pentanamide
CID 119308398
3-(3-methylimidazol-4-yl)-N-[(R)-[(2R)-oxolan-2-yl]-phenylmethyl]propanamide
CID 124625525
(2S)-2-[[2-(oxolan-2-yl)acetyl]amino]-2-phenylacetic acid
CID 103804697
(2R)-2-[[2-(oxolan-2-yl)acetyl]amino]-2-phenylacetic acid
CID 65156988
(2S)-2-[[2-[(2S)-oxolan-2-yl]acetyl]amino]-2-phenylacetic acid
CID 124559457
2-(aminomethyl)-N-[oxolan-2-yl(phenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119757405
4-(cyclopropylmethoxy)-N-[oxolan-2-yl(phenyl)methyl]piperidine-1-carboxamide
CID 127382642

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxan-2-yl)-N-[(S)-[(2S)-oxolan-2-yl]-phenylmethyl]acetamide?
The IUPAC name of 2-(1,3-dioxan-2-yl)-N-[(S)-[(2S)-oxolan-2-yl]-phenylmethyl]acetamide (CID 124625518) is 2-(1,3-dioxan-2-yl)-N-[(S)-[(2S)-oxolan-2-yl]-phenylmethyl]acetamide.
What is the SMILES notation for 2-(1,3-dioxan-2-yl)-N-[(S)-[(2S)-oxolan-2-yl]-phenylmethyl]acetamide?
The canonical SMILES for 2-(1,3-dioxan-2-yl)-N-[(S)-[(2S)-oxolan-2-yl]-phenylmethyl]acetamide is O=C(CC1OCCCO1)N[C@@H](c1ccccc1)[C@@H]1CCCO1.
What is the InChIKey of 2-(1,3-dioxan-2-yl)-N-[(S)-[(2S)-oxolan-2-yl]-phenylmethyl]acetamide?
The InChIKey is GKEZLPSJXGIKTC-YOEHRIQHSA-N. The full InChI is InChI=1S/C17H23NO4/c19-15(12-16-21-10-5-11-22-16)18-17(14-8-4-9-20-14)13-6-2-1-3-7-13/h1-3,6-7,14,16-17H,4-5,8-12H2,(H,18,19)/t14-,17-/m0/s1.
What are the key properties of 2-(1,3-dioxan-2-yl)-N-[(S)-[(2S)-oxolan-2-yl]-phenylmethyl]acetamide?
2-(1,3-dioxan-2-yl)-N-[(S)-[(2S)-oxolan-2-yl]-phenylmethyl]acetamide has a molecular weight of 305.37 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxan-2-yl)-N-[(S)-[(2S)-oxolan-2-yl]-phenylmethyl]acetamide is sourced from PubChem (CID 124625518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).