benzyl N-[1-[(2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl)amino]propan-2-yl]carbamate

C20H30N2O5 — CID 154967000

IUPACbenzyl N-[1-[(2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl)amino]propan-2-yl]carbamate
SMILESCC(CNC(=O)C1OC(C)(C)OCC1(C)C)NC(=O)OCc1ccccc1
InChIInChI=1S/C20H30N2O5/c1-14(22-18(24)25-12-15-9-7-6-8-10-15)11-21-17(23)16-19(2,3)13-26-20(4,5)27-16/h6-10,14,16H,11-13H2,1-5H3,(H,21,23)(H,22,24)
InChIKeyUIENHFGUXRHFEF-UHFFFAOYSA-N
MW378.47 g/mol
LogP2.60
Rot. Bonds6

About benzyl N-[1-[(2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl)amino]propan-2-yl]carbamate

benzyl N-[1-[(2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl)amino]propan-2-yl]carbamate (PubChem CID 154967000) has the molecular formula C20H30N2O5 and a molecular weight of 378.47 g/mol. Its IUPAC name is benzyl N-[1-[(2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl)amino]propan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-[(2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl)amino]propan-2-yl]carbamate
PubChem CID154967000
Molecular FormulaC20H30N2O5
Molecular Weight378.47 g/mol
Exact Mass378.22
IUPAC Namebenzyl N-[1-[(2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl)amino]propan-2-yl]carbamate
SMILESCC(CNC(=O)C1OC(C)(C)OCC1(C)C)NC(=O)OCc1ccccc1
InChIInChI=1S/C20H30N2O5/c1-14(22-18(24)25-12-15-9-7-6-8-10-15)11-21-17(23)16-19(2,3)13-26-20(4,5)27-16/h6-10,14,16H,11-13H2,1-5H3,(H,21,23)(H,22,24)
InChIKeyUIENHFGUXRHFEF-UHFFFAOYSA-N
XLogP2.60
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze benzyl N-[1-[(2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl)amino]propan-2-yl]carbamate 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

benzyl N-[(2S)-1-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propan-2-yl]carbamate;benzyl N-[(2S)-1-[[(4R)-2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl]amino]propan-2-yl]carbamate
CID 163870297
(2R)-3-amino-2-[4-(phenylmethoxycarbonylamino)butanoylsulfanylmethyl]-5-[[(4R)-2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl]amino]pentanoic acid
CID 155145205
benzyl N-[1-(2,2-dimethylcyclopropyl)ethyl]carbamate
CID 130791608
(4R)-N-[3-hydroxy-4-oxo-4-(2-phenylethylamino)butyl]-2,2,5,5-tetramethyl-1,3-dioxane-4-carboxamide
CID 118353369
benzyl N-[(1S)-2-amino-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxoethyl]carbamate
CID 13388547
benzyl N-[(1R)-1-[(4R,5S)-5-[(1R)-1-hydroxy-2,2-dimethoxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]carbamate
CID 10992603
(2S)-2-(2-methyl-1,3-dioxolan-2-yl)-2-(phenylmethoxycarbonylamino)acetic acid
CID 135151706
benzyl N-[(2R)-1-iodopropan-2-yl]carbamate
CID 11631115
benzyl N-[1-(oxetan-3-yl)ethyl]carbamate
CID 144719196
benzyl N-[2-hydroxy-1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)propyl]carbamate
CID 53422332
benzyl N-[(2R)-2-(propan-2-ylamino)propyl]carbamate
CID 69087591
benzyl N-[3-methyl-1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)butyl]carbamate
CID 67298262

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-[(2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl)amino]propan-2-yl]carbamate?
The IUPAC name of benzyl N-[1-[(2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl)amino]propan-2-yl]carbamate (CID 154967000) is benzyl N-[1-[(2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl)amino]propan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[1-[(2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl)amino]propan-2-yl]carbamate?
The canonical SMILES for benzyl N-[1-[(2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl)amino]propan-2-yl]carbamate is CC(CNC(=O)C1OC(C)(C)OCC1(C)C)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[1-[(2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl)amino]propan-2-yl]carbamate?
The InChIKey is UIENHFGUXRHFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O5/c1-14(22-18(24)25-12-15-9-7-6-8-10-15)11-21-17(23)16-19(2,3)13-26-20(4,5)27-16/h6-10,14,16H,11-13H2,1-5H3,(H,21,23)(H,22,24).
What are the key properties of benzyl N-[1-[(2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl)amino]propan-2-yl]carbamate?
benzyl N-[1-[(2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl)amino]propan-2-yl]carbamate has a molecular weight of 378.47 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-[(2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl)amino]propan-2-yl]carbamate is sourced from PubChem (CID 154967000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).