tri(propan-2-yl)silyl N-benzyl-N-(4-oxobutyl)carbamate

C21H35NO3Si — CID 57381809

IUPACtri(propan-2-yl)silyl N-benzyl-N-(4-oxobutyl)carbamate
SMILESCC(C)[Si](OC(=O)N(CCCC=O)Cc1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C21H35NO3Si/c1-17(2)26(18(3)4,19(5)6)25-21(24)22(14-10-11-15-23)16-20-12-8-7-9-13-20/h7-9,12-13,15,17-19H,10-11,14,16H2,1-6H3
InChIKeySCGAKIZGZMTHAR-UHFFFAOYSA-N
MW377.60 g/mol
LogP5.78
Rot. Bonds10

About tri(propan-2-yl)silyl N-benzyl-N-(4-oxobutyl)carbamate

tri(propan-2-yl)silyl N-benzyl-N-(4-oxobutyl)carbamate (PubChem CID 57381809) has the molecular formula C21H35NO3Si and a molecular weight of 377.60 g/mol. Its IUPAC name is tri(propan-2-yl)silyl N-benzyl-N-(4-oxobutyl)carbamate.

Molecular Properties

Compound Nametri(propan-2-yl)silyl N-benzyl-N-(4-oxobutyl)carbamate
PubChem CID57381809
Molecular FormulaC21H35NO3Si
Molecular Weight377.60 g/mol
Exact Mass377.24
IUPAC Nametri(propan-2-yl)silyl N-benzyl-N-(4-oxobutyl)carbamate
SMILESCC(C)[Si](OC(=O)N(CCCC=O)Cc1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C21H35NO3Si/c1-17(2)26(18(3)4,19(5)6)25-21(24)22(14-10-11-15-23)16-20-12-8-7-9-13-20/h7-9,12-13,15,17-19H,10-11,14,16H2,1-6H3
InChIKeySCGAKIZGZMTHAR-UHFFFAOYSA-N
XLogP5.78
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.60
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tri(propan-2-yl)silyl N-benzyl-N-(4-oxobutyl)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

tri(propan-2-yl)silyl N-benzyl-N-pent-4-enylcarbamate
CID 57382243
tri(propan-2-yl)silyl N-benzyl-N-[(2-ethenyl-6-methylphenyl)methyl]carbamate
CID 57382703
N-benzyl-N-(5-oxopentyl)acetamide
CID 11586698
tert-butyl N-benzyl-N-pent-4-enylcarbamate
CID 15840242
2-methylpropyl N-benzyl-N-[3-[benzyl(2-methylpropoxycarbonyl)amino]-2-oxopropyl]carbamate
CID 10504485
tert-butyl N-benzyl-N-(3-hydroxypropyl)carbamate
CID 10015720
tert-butyl N-benzyl-N-(3,3-dimethyl-4-oxobutyl)carbamate
CID 146629993
tert-butyl N-(3-oxopropyl)-N-[(3-phenoxyphenyl)methyl]carbamate
CID 156706671
benzyl N-methyl-N-(5-oxopentyl)carbamate
CID 86722745
(111C)methyl N,N-dibenzylcarbamate
CID 10106358
6-[benzyl(6-oxohexyl)amino]hexanoic acid;methanol
CID 168891926
5-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid
CID 22006392

Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)silyl N-benzyl-N-(4-oxobutyl)carbamate?
The IUPAC name of tri(propan-2-yl)silyl N-benzyl-N-(4-oxobutyl)carbamate (CID 57381809) is tri(propan-2-yl)silyl N-benzyl-N-(4-oxobutyl)carbamate.
What is the SMILES notation for tri(propan-2-yl)silyl N-benzyl-N-(4-oxobutyl)carbamate?
The canonical SMILES for tri(propan-2-yl)silyl N-benzyl-N-(4-oxobutyl)carbamate is CC(C)[Si](OC(=O)N(CCCC=O)Cc1ccccc1)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)silyl N-benzyl-N-(4-oxobutyl)carbamate?
The InChIKey is SCGAKIZGZMTHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35NO3Si/c1-17(2)26(18(3)4,19(5)6)25-21(24)22(14-10-11-15-23)16-20-12-8-7-9-13-20/h7-9,12-13,15,17-19H,10-11,14,16H2,1-6H3.
What are the key properties of tri(propan-2-yl)silyl N-benzyl-N-(4-oxobutyl)carbamate?
tri(propan-2-yl)silyl N-benzyl-N-(4-oxobutyl)carbamate has a molecular weight of 377.60 g/mol, XLogP of 5.78, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)silyl N-benzyl-N-(4-oxobutyl)carbamate is sourced from PubChem (CID 57381809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).