ethane;methoxymethanol;[(2R)-3-methyl-1-(2-methylphenyl)butan-2-yl] N-methylcarbamate;molecular hydrogen

C20H41NO4 — CID 144705828

IUPACethane;methoxymethanol;[(2R)-3-methyl-1-(2-methylphenyl)butan-2-yl] N-methylcarbamate;molecular hydrogen
SMILESCC.CC.CNC(=O)O[C@H](Cc1ccccc1C)C(C)C.COCO.[H][H]
InChIInChI=1S/C14H21NO2.C2H6O2.2C2H6.H2/c1-10(2)13(17-14(16)15-4)9-12-8-6-5-7-11(12)3;1-4-2-3;2*1-2;/h5-8,10,13H,9H2,1-4H3,(H,15,16);3H,2H2,1H3;2*1-2H3;1H/t13-;;;;/m1..../s1
InChIKeyRDAQMJCUKMGADC-SVZPRBGCSA-N
MW359.55 g/mol
LogP4.80
Rot. Bonds5

About ethane;methoxymethanol;[(2R)-3-methyl-1-(2-methylphenyl)butan-2-yl] N-methylcarbamate;molecular hydrogen

ethane;methoxymethanol;[(2R)-3-methyl-1-(2-methylphenyl)butan-2-yl] N-methylcarbamate;molecular hydrogen (PubChem CID 144705828) has the molecular formula C20H41NO4 and a molecular weight of 359.55 g/mol. Its IUPAC name is ethane;methoxymethanol;[(2R)-3-methyl-1-(2-methylphenyl)butan-2-yl] N-methylcarbamate;molecular hydrogen.

Molecular Properties

Compound Nameethane;methoxymethanol;[(2R)-3-methyl-1-(2-methylphenyl)butan-2-yl] N-methylcarbamate;molecular hydrogen
PubChem CID144705828
Molecular FormulaC20H41NO4
Molecular Weight359.55 g/mol
Exact Mass359.30
IUPAC Nameethane;methoxymethanol;[(2R)-3-methyl-1-(2-methylphenyl)butan-2-yl] N-methylcarbamate;molecular hydrogen
SMILESCC.CC.CNC(=O)O[C@H](Cc1ccccc1C)C(C)C.COCO.[H][H]
InChIInChI=1S/C14H21NO2.C2H6O2.2C2H6.H2/c1-10(2)13(17-14(16)15-4)9-12-8-6-5-7-11(12)3;1-4-2-3;2*1-2;/h5-8,10,13H,9H2,1-4H3,(H,15,16);3H,2H2,1H3;2*1-2H3;1H/t13-;;;;/m1..../s1
InChIKeyRDAQMJCUKMGADC-SVZPRBGCSA-N
XLogP4.80
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.55
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[(2R)-3-methyl-1-(2-methylphenyl)butan-2-yl] N-benzylcarbamate
CID 144705783
2-methoxy-N-methyl-3-(2-methylphenyl)propanamide
CID 141325108
N-methyl-2-[1-(2-methylphenyl)propan-2-ylamino]acetamide
CID 115706820
2-methoxy-N-[1-(2-methylphenyl)propan-2-yl]acetamide
CID 47062728
N-[1-(2-methylphenyl)propan-2-yl]acetamide
CID 541803
[1-hydroxy-3-methyl-1-(2-methylphenyl)butan-2-yl] N-methylcarbamate
CID 123389134
ethane;methyl 2-(2-methylphenyl)acetate
CID 142489189
acetic acid;ethane;formaldehyde;methyl acetate;(2-methylphenyl)methanol
CID 142603092
methoxymethanol;1-methyl-2-propylbenzene
CID 145362481
ethane;(2-methylphenyl)methyl acetate
CID 143177732
ethyl (2S)-2-methyl-3-(2-methylphenyl)propanoate
CID 125424870
2-(methylamino)-N-[1-(2-methylphenyl)propan-2-yl]acetamide
CID 60927229

Frequently Asked Questions

What is the IUPAC name of ethane;methoxymethanol;[(2R)-3-methyl-1-(2-methylphenyl)butan-2-yl] N-methylcarbamate;molecular hydrogen?
The IUPAC name of ethane;methoxymethanol;[(2R)-3-methyl-1-(2-methylphenyl)butan-2-yl] N-methylcarbamate;molecular hydrogen (CID 144705828) is ethane;methoxymethanol;[(2R)-3-methyl-1-(2-methylphenyl)butan-2-yl] N-methylcarbamate;molecular hydrogen.
What is the SMILES notation for ethane;methoxymethanol;[(2R)-3-methyl-1-(2-methylphenyl)butan-2-yl] N-methylcarbamate;molecular hydrogen?
The canonical SMILES for ethane;methoxymethanol;[(2R)-3-methyl-1-(2-methylphenyl)butan-2-yl] N-methylcarbamate;molecular hydrogen is CC.CC.CNC(=O)O[C@H](Cc1ccccc1C)C(C)C.COCO.[H][H].
What is the InChIKey of ethane;methoxymethanol;[(2R)-3-methyl-1-(2-methylphenyl)butan-2-yl] N-methylcarbamate;molecular hydrogen?
The InChIKey is RDAQMJCUKMGADC-SVZPRBGCSA-N. The full InChI is InChI=1S/C14H21NO2.C2H6O2.2C2H6.H2/c1-10(2)13(17-14(16)15-4)9-12-8-6-5-7-11(12)3;1-4-2-3;2*1-2;/h5-8,10,13H,9H2,1-4H3,(H,15,16);3H,2H2,1H3;2*1-2H3;1H/t13-;;;;/m1..../s1.
What are the key properties of ethane;methoxymethanol;[(2R)-3-methyl-1-(2-methylphenyl)butan-2-yl] N-methylcarbamate;molecular hydrogen?
ethane;methoxymethanol;[(2R)-3-methyl-1-(2-methylphenyl)butan-2-yl] N-methylcarbamate;molecular hydrogen has a molecular weight of 359.55 g/mol, XLogP of 4.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methoxymethanol;[(2R)-3-methyl-1-(2-methylphenyl)butan-2-yl] N-methylcarbamate;molecular hydrogen is sourced from PubChem (CID 144705828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).