2-[benzyl-[[5-(ethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]amino]-1-phenylethanone

C24H31NO4 — CID 134864157

IUPAC2-[benzyl-[[5-(ethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]amino]-1-phenylethanone
SMILESCCOCC1OC(C)(C)OC1CN(CC(=O)c1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H31NO4/c1-4-27-18-23-22(28-24(2,3)29-23)17-25(15-19-11-7-5-8-12-19)16-21(26)20-13-9-6-10-14-20/h5-14,22-23H,4,15-18H2,1-3H3
InChIKeyWYTYRKVDYVHCIQ-UHFFFAOYSA-N
MW397.51 g/mol
LogP3.93
Rot. Bonds10

About 2-[benzyl-[[5-(ethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]amino]-1-phenylethanone

2-[benzyl-[[5-(ethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]amino]-1-phenylethanone (PubChem CID 134864157) has the molecular formula C24H31NO4 and a molecular weight of 397.51 g/mol. Its IUPAC name is 2-[benzyl-[[5-(ethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]amino]-1-phenylethanone.

Molecular Properties

Compound Name2-[benzyl-[[5-(ethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]amino]-1-phenylethanone
PubChem CID134864157
Molecular FormulaC24H31NO4
Molecular Weight397.51 g/mol
Exact Mass397.23
IUPAC Name2-[benzyl-[[5-(ethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]amino]-1-phenylethanone
SMILESCCOCC1OC(C)(C)OC1CN(CC(=O)c1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H31NO4/c1-4-27-18-23-22(28-24(2,3)29-23)17-25(15-19-11-7-5-8-12-19)16-21(26)20-13-9-6-10-14-20/h5-14,22-23H,4,15-18H2,1-3H3
InChIKeyWYTYRKVDYVHCIQ-UHFFFAOYSA-N
XLogP3.93
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.51
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[benzyl-[[5-(ethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]amino]-1-phenylethanone with MolForge

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Related Compounds

(E,4R)-4-[benzyl(methyl)amino]-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxy-1-phenylbut-2-en-1-one
CID 134836280
Methyl 2-[benzyl(phenacyl)amino]acetate
CID 71473057
methyl (4S,5S)-5-[benzyl(phenacyl)carbamoyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 134864326
2-[benzyl-[[(4S,5R)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]amino]-1-phenylethanone
CID 134864327
2-[[(2S)-1-ethoxy-3-phenylpropan-2-yl]-[[(4R,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]amino]-1-phenylethanone
CID 134864568
(E)-4-[benzyl(methyl)amino]-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxy-1-phenylbut-2-en-1-one
CID 135063081
2-[Benzyl(2,2-dimethoxyethyl)amino]-1-phenylpropan-1-one
CID 135064782
1,3-Dioxolan-2-ylmethyl-[2-[4-[4-[2-[1,3-dioxolan-2-ylmethyl(dimethyl)azaniumyl]acetyl]phenyl]phenyl]-2-oxoethyl]-dimethylazanium
CID 14913714
phenyl-[(3R,4S)-2,3,4-trimethoxypyrrolidin-1-yl]methanone
CID 10801632
[(3R,4S)-2-methoxy-3,4-bis(methoxymethoxy)pyrrolidin-1-yl]-phenylmethanone
CID 10947331
2-[Benzyl-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]amino]-1-phenylethanone
CID 20451283
N-[[(3aS,6R,6aR)-6-ethyl-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-yl]methyl]-N-methylbenzamide
CID 129198362

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[[5-(ethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]amino]-1-phenylethanone?
The IUPAC name of 2-[benzyl-[[5-(ethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]amino]-1-phenylethanone (CID 134864157) is 2-[benzyl-[[5-(ethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]amino]-1-phenylethanone.
What is the SMILES notation for 2-[benzyl-[[5-(ethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]amino]-1-phenylethanone?
The canonical SMILES for 2-[benzyl-[[5-(ethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]amino]-1-phenylethanone is CCOCC1OC(C)(C)OC1CN(CC(=O)c1ccccc1)Cc1ccccc1.
What is the InChIKey of 2-[benzyl-[[5-(ethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]amino]-1-phenylethanone?
The InChIKey is WYTYRKVDYVHCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO4/c1-4-27-18-23-22(28-24(2,3)29-23)17-25(15-19-11-7-5-8-12-19)16-21(26)20-13-9-6-10-14-20/h5-14,22-23H,4,15-18H2,1-3H3.
What are the key properties of 2-[benzyl-[[5-(ethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]amino]-1-phenylethanone?
2-[benzyl-[[5-(ethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]amino]-1-phenylethanone has a molecular weight of 397.51 g/mol, XLogP of 3.93, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[[5-(ethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]amino]-1-phenylethanone is sourced from PubChem (CID 134864157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).