methyl N-[4-[[4-(2-methylpropanoylamino)phenyl]methyl]phenyl]carbamate;molecular hydrogen

C19H26N2O3 — CID 144683165

IUPACmethyl N-[4-[[4-(2-methylpropanoylamino)phenyl]methyl]phenyl]carbamate;molecular hydrogen
SMILESCOC(=O)Nc1ccc(Cc2ccc(NC(=O)C(C)C)cc2)cc1.[H][H].[H][H]
InChIInChI=1S/C19H22N2O3.2H2/c1-13(2)18(22)20-16-8-4-14(5-9-16)12-15-6-10-17(11-7-15)21-19(23)24-3;;/h4-11,13H,12H2,1-3H3,(H,20,22)(H,21,23);2*1H
InChIKeyFVGXXVOBOUNWIR-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.54
Rot. Bonds5

About methyl N-[4-[[4-(2-methylpropanoylamino)phenyl]methyl]phenyl]carbamate;molecular hydrogen

methyl N-[4-[[4-(2-methylpropanoylamino)phenyl]methyl]phenyl]carbamate;molecular hydrogen (PubChem CID 144683165) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is methyl N-[4-[[4-(2-methylpropanoylamino)phenyl]methyl]phenyl]carbamate;molecular hydrogen.

Molecular Properties

Compound Namemethyl N-[4-[[4-(2-methylpropanoylamino)phenyl]methyl]phenyl]carbamate;molecular hydrogen
PubChem CID144683165
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Namemethyl N-[4-[[4-(2-methylpropanoylamino)phenyl]methyl]phenyl]carbamate;molecular hydrogen
SMILESCOC(=O)Nc1ccc(Cc2ccc(NC(=O)C(C)C)cc2)cc1.[H][H].[H][H]
InChIInChI=1S/C19H22N2O3.2H2/c1-13(2)18(22)20-16-8-4-14(5-9-16)12-15-6-10-17(11-7-15)21-19(23)24-3;;/h4-11,13H,12H2,1-3H3,(H,20,22)(H,21,23);2*1H
InChIKeyFVGXXVOBOUNWIR-UHFFFAOYSA-N
XLogP4.54
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 130256848
[4-[[4-(2-methylpropanoylamino)phenyl]methyl]phenyl] cyanate
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methyl N-[4-(2-chloropropanoylamino)phenyl]carbamate
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methyl N-[4-(hydroxymethyl)phenyl]carbamate
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2-methyl-N-(4-propylphenyl)propanamide
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methyl N-[4-[(4-isocyanatophenyl)methyl]phenyl]carbamate
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2-ethyl-N-[4-[[4-(2-ethylbutanoylamino)phenyl]methyl]phenyl]butanamide
CID 2165509
methyl N-[4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]phenyl]carbamate
CID 61179916
methyl N-[4-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]phenyl]carbamate
CID 103928929
methyl N-[4-[4-[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]butyl]phenyl]carbamate
CID 73426367
[4-(2-methylpropanoylamino)phenyl]methyl N-(2-methylsulfonylethyl)carbamate;molecular hydrogen
CID 166454058
2-(2-methoxyphenoxy)-N-[4-[[4-[2-(2-methoxyphenoxy)propanoylamino]phenyl]methyl]phenyl]propanamide
CID 4943540

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[[4-(2-methylpropanoylamino)phenyl]methyl]phenyl]carbamate;molecular hydrogen?
The IUPAC name of methyl N-[4-[[4-(2-methylpropanoylamino)phenyl]methyl]phenyl]carbamate;molecular hydrogen (CID 144683165) is methyl N-[4-[[4-(2-methylpropanoylamino)phenyl]methyl]phenyl]carbamate;molecular hydrogen.
What is the SMILES notation for methyl N-[4-[[4-(2-methylpropanoylamino)phenyl]methyl]phenyl]carbamate;molecular hydrogen?
The canonical SMILES for methyl N-[4-[[4-(2-methylpropanoylamino)phenyl]methyl]phenyl]carbamate;molecular hydrogen is COC(=O)Nc1ccc(Cc2ccc(NC(=O)C(C)C)cc2)cc1.[H][H].[H][H].
What is the InChIKey of methyl N-[4-[[4-(2-methylpropanoylamino)phenyl]methyl]phenyl]carbamate;molecular hydrogen?
The InChIKey is FVGXXVOBOUNWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3.2H2/c1-13(2)18(22)20-16-8-4-14(5-9-16)12-15-6-10-17(11-7-15)21-19(23)24-3;;/h4-11,13H,12H2,1-3H3,(H,20,22)(H,21,23);2*1H.
What are the key properties of methyl N-[4-[[4-(2-methylpropanoylamino)phenyl]methyl]phenyl]carbamate;molecular hydrogen?
methyl N-[4-[[4-(2-methylpropanoylamino)phenyl]methyl]phenyl]carbamate;molecular hydrogen has a molecular weight of 330.43 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[[4-(2-methylpropanoylamino)phenyl]methyl]phenyl]carbamate;molecular hydrogen is sourced from PubChem (CID 144683165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).