methylsilylmethyl N-[3-[[3-[[2-hydroxyethyl(methyl)carbamoyl]amino]phenyl]methyl]-5-[[3-(methylsilylmethoxycarbonylamino)phenyl]methyl]phenyl]carbamate

C30H40N4O6Si2 — CID 158025110

IUPACmethylsilylmethyl N-[3-[[3-[[2-hydroxyethyl(methyl)carbamoyl]amino]phenyl]methyl]-5-[[3-(methylsilylmethoxycarbonylamino)phenyl]methyl]phenyl]carbamate
SMILESC[SiH2]COC(=O)Nc1cccc(Cc2cc(Cc3cccc(NC(=O)N(C)CCO)c3)cc(NC(=O)OC[SiH2]C)c2)c1
InChIInChI=1S/C30H40N4O6Si2/c1-34(10-11-35)28(36)31-25-8-4-6-21(15-25)12-23-14-24(18-27(17-23)33-30(38)40-20-42-3)13-22-7-5-9-26(16-22)32-29(37)39-19-41-2/h4-9,14-18,35H,10-13,19-20,41-42H2,1-3H3,(H,31,36)(H,32,37)(H,33,38)
InChIKeyPZZKFONGUMLQBC-UHFFFAOYSA-N
MW608.84 g/mol
LogP3.77
Rot. Bonds13

About methylsilylmethyl N-[3-[[3-[[2-hydroxyethyl(methyl)carbamoyl]amino]phenyl]methyl]-5-[[3-(methylsilylmethoxycarbonylamino)phenyl]methyl]phenyl]carbamate

methylsilylmethyl N-[3-[[3-[[2-hydroxyethyl(methyl)carbamoyl]amino]phenyl]methyl]-5-[[3-(methylsilylmethoxycarbonylamino)phenyl]methyl]phenyl]carbamate (PubChem CID 158025110) has the molecular formula C30H40N4O6Si2 and a molecular weight of 608.84 g/mol. Its IUPAC name is methylsilylmethyl N-[3-[[3-[[2-hydroxyethyl(methyl)carbamoyl]amino]phenyl]methyl]-5-[[3-(methylsilylmethoxycarbonylamino)phenyl]methyl]phenyl]carbamate.

Molecular Properties

Compound Namemethylsilylmethyl N-[3-[[3-[[2-hydroxyethyl(methyl)carbamoyl]amino]phenyl]methyl]-5-[[3-(methylsilylmethoxycarbonylamino)phenyl]methyl]phenyl]carbamate
PubChem CID158025110
Molecular FormulaC30H40N4O6Si2
Molecular Weight608.84 g/mol
Exact Mass608.25
IUPAC Namemethylsilylmethyl N-[3-[[3-[[2-hydroxyethyl(methyl)carbamoyl]amino]phenyl]methyl]-5-[[3-(methylsilylmethoxycarbonylamino)phenyl]methyl]phenyl]carbamate
SMILESC[SiH2]COC(=O)Nc1cccc(Cc2cc(Cc3cccc(NC(=O)N(C)CCO)c3)cc(NC(=O)OC[SiH2]C)c2)c1
InChIInChI=1S/C30H40N4O6Si2/c1-34(10-11-35)28(36)31-25-8-4-6-21(15-25)12-23-14-24(18-27(17-23)33-30(38)40-20-42-3)13-22-7-5-9-26(16-22)32-29(37)39-19-41-2/h4-9,14-18,35H,10-13,19-20,41-42H2,1-3H3,(H,31,36)(H,32,37)(H,33,38)
InChIKeyPZZKFONGUMLQBC-UHFFFAOYSA-N
XLogP3.77
TPSA129.23 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500608.84
LogP ≤ 53.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze methylsilylmethyl N-[3-[[3-[[2-hydroxyethyl(methyl)carbamoyl]amino]phenyl]methyl]-5-[[3-(methylsilylmethoxycarbonylamino)phenyl]methyl]phenyl]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

CID 89449700
CID 89449700
3-(3-ethylphenyl)-1-(2-hydroxyethyl)-1-methylurea
CID 111431118
2-[[[2-hydroxyethoxymethyl(dimethyl)silyl]oxy-dimethylsilyl]methoxy]ethyl N-[3-[[3-[bis(2-hydroxyethyl)carbamoylamino]phenyl]methyl]-5-[[3-[2-[[[2-hydroxyethoxymethyl(dimethyl)silyl]oxy-dimethylsilyl]methoxy]ethoxycarbonylamino]phenyl]methyl]phenyl]carbamate
CID 89341314
3-[3-(1-aminoethyl)phenyl]-1-(2-hydroxyethyl)-1-methylurea
CID 61341691
3-(3-ethoxyphenyl)-1-(2-hydroxyethyl)-1-methylurea
CID 111431448
3-[methyl-[[3-(methylaminomethyl)phenyl]carbamoyl]amino]propanoic acid
CID 55134853
2-hydroxyethyl N-[3-[[acetyl(methyl)amino]methyl]phenyl]carbamate
CID 79345177
3-[3-(aminomethyl)phenyl]-1-(2-ethoxyethyl)-1-methylurea
CID 81056992
3-[3-(aminomethyl)phenyl]-1-(3-methoxypropyl)-1-methylurea
CID 55140706
1-butyl-3-(3-ethylphenyl)-1-methylurea
CID 5202320
3-[3-(chloromethyl)phenyl]-1,1-bis(2-hydroxyethyl)urea
CID 57213701
3-(3-aminophenyl)-1-[2-(dimethylamino)ethyl]-1-methylurea
CID 63701302

Frequently Asked Questions

What is the IUPAC name of methylsilylmethyl N-[3-[[3-[[2-hydroxyethyl(methyl)carbamoyl]amino]phenyl]methyl]-5-[[3-(methylsilylmethoxycarbonylamino)phenyl]methyl]phenyl]carbamate?
The IUPAC name of methylsilylmethyl N-[3-[[3-[[2-hydroxyethyl(methyl)carbamoyl]amino]phenyl]methyl]-5-[[3-(methylsilylmethoxycarbonylamino)phenyl]methyl]phenyl]carbamate (CID 158025110) is methylsilylmethyl N-[3-[[3-[[2-hydroxyethyl(methyl)carbamoyl]amino]phenyl]methyl]-5-[[3-(methylsilylmethoxycarbonylamino)phenyl]methyl]phenyl]carbamate.
What is the SMILES notation for methylsilylmethyl N-[3-[[3-[[2-hydroxyethyl(methyl)carbamoyl]amino]phenyl]methyl]-5-[[3-(methylsilylmethoxycarbonylamino)phenyl]methyl]phenyl]carbamate?
The canonical SMILES for methylsilylmethyl N-[3-[[3-[[2-hydroxyethyl(methyl)carbamoyl]amino]phenyl]methyl]-5-[[3-(methylsilylmethoxycarbonylamino)phenyl]methyl]phenyl]carbamate is C[SiH2]COC(=O)Nc1cccc(Cc2cc(Cc3cccc(NC(=O)N(C)CCO)c3)cc(NC(=O)OC[SiH2]C)c2)c1.
What is the InChIKey of methylsilylmethyl N-[3-[[3-[[2-hydroxyethyl(methyl)carbamoyl]amino]phenyl]methyl]-5-[[3-(methylsilylmethoxycarbonylamino)phenyl]methyl]phenyl]carbamate?
The InChIKey is PZZKFONGUMLQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N4O6Si2/c1-34(10-11-35)28(36)31-25-8-4-6-21(15-25)12-23-14-24(18-27(17-23)33-30(38)40-20-42-3)13-22-7-5-9-26(16-22)32-29(37)39-19-41-2/h4-9,14-18,35H,10-13,19-20,41-42H2,1-3H3,(H,31,36)(H,32,37)(H,33,38).
What are the key properties of methylsilylmethyl N-[3-[[3-[[2-hydroxyethyl(methyl)carbamoyl]amino]phenyl]methyl]-5-[[3-(methylsilylmethoxycarbonylamino)phenyl]methyl]phenyl]carbamate?
methylsilylmethyl N-[3-[[3-[[2-hydroxyethyl(methyl)carbamoyl]amino]phenyl]methyl]-5-[[3-(methylsilylmethoxycarbonylamino)phenyl]methyl]phenyl]carbamate has a molecular weight of 608.84 g/mol, XLogP of 3.77, 13 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methylsilylmethyl N-[3-[[3-[[2-hydroxyethyl(methyl)carbamoyl]amino]phenyl]methyl]-5-[[3-(methylsilylmethoxycarbonylamino)phenyl]methyl]phenyl]carbamate is sourced from PubChem (CID 158025110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).