benzyl N-(2-carbamoyloxyethyl)-N-(3,3-diphenylpropyl)carbamate

C26H28N2O4 — CID 59728985

IUPACbenzyl N-(2-carbamoyloxyethyl)-N-(3,3-diphenylpropyl)carbamate
SMILESNC(=O)OCCN(CCC(c1ccccc1)c1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C26H28N2O4/c27-25(29)31-19-18-28(26(30)32-20-21-10-4-1-5-11-21)17-16-24(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,24H,16-20H2,(H2,27,29)
InChIKeyBAWQHSSZWBEMSH-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.94
Rot. Bonds10

About benzyl N-(2-carbamoyloxyethyl)-N-(3,3-diphenylpropyl)carbamate

benzyl N-(2-carbamoyloxyethyl)-N-(3,3-diphenylpropyl)carbamate (PubChem CID 59728985) has the molecular formula C26H28N2O4 and a molecular weight of 432.52 g/mol. Its IUPAC name is benzyl N-(2-carbamoyloxyethyl)-N-(3,3-diphenylpropyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(2-carbamoyloxyethyl)-N-(3,3-diphenylpropyl)carbamate
PubChem CID59728985
Molecular FormulaC26H28N2O4
Molecular Weight432.52 g/mol
Exact Mass432.20
IUPAC Namebenzyl N-(2-carbamoyloxyethyl)-N-(3,3-diphenylpropyl)carbamate
SMILESNC(=O)OCCN(CCC(c1ccccc1)c1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C26H28N2O4/c27-25(29)31-19-18-28(26(30)32-20-21-10-4-1-5-11-21)17-16-24(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,24H,16-20H2,(H2,27,29)
InChIKeyBAWQHSSZWBEMSH-UHFFFAOYSA-N
XLogP4.94
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze benzyl N-(2-carbamoyloxyethyl)-N-(3,3-diphenylpropyl)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,N-bis(2-hydroxyethyl)carbamate
CID 23498447
benzyl N-[(3R)-3-phenylpent-4-enyl]-N-prop-2-enylcarbamate
CID 102188161
benzyl N,N-bis[2-(trifluoromethoxy)ethyl]carbamate
CID 121233905
benzyl carbamate;heptahydrochloride
CID 141351835
benzyl N,N-bis[2-(4-aminophenoxy)ethyl]carbamate
CID 135223658
benzyl N-[3-(aminomethyl)pentyl]-N-propylcarbamate
CID 138644331
benzyl (2R)-2-hydroxy-2-phenylacetate
CID 853755
[(3S)-3-amino-3-phenylpropyl] carbamate
CID 90391967
benzyl N-(2-bromoethyl)-N-[2-tri(propan-2-yl)silyloxyethyl]carbamate
CID 20740326
benzyl N-(2-phenylethyl)-N-propylcarbamate
CID 141214561
benzyl N-ethyl-N-propylcarbamate
CID 126656974
3-O-benzyl 1-O-(4,4-diphenylbutyl) propanedioate
CID 175176228

Frequently Asked Questions

What is the IUPAC name of benzyl N-(2-carbamoyloxyethyl)-N-(3,3-diphenylpropyl)carbamate?
The IUPAC name of benzyl N-(2-carbamoyloxyethyl)-N-(3,3-diphenylpropyl)carbamate (CID 59728985) is benzyl N-(2-carbamoyloxyethyl)-N-(3,3-diphenylpropyl)carbamate.
What is the SMILES notation for benzyl N-(2-carbamoyloxyethyl)-N-(3,3-diphenylpropyl)carbamate?
The canonical SMILES for benzyl N-(2-carbamoyloxyethyl)-N-(3,3-diphenylpropyl)carbamate is NC(=O)OCCN(CCC(c1ccccc1)c1ccccc1)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(2-carbamoyloxyethyl)-N-(3,3-diphenylpropyl)carbamate?
The InChIKey is BAWQHSSZWBEMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4/c27-25(29)31-19-18-28(26(30)32-20-21-10-4-1-5-11-21)17-16-24(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,24H,16-20H2,(H2,27,29).
What are the key properties of benzyl N-(2-carbamoyloxyethyl)-N-(3,3-diphenylpropyl)carbamate?
benzyl N-(2-carbamoyloxyethyl)-N-(3,3-diphenylpropyl)carbamate has a molecular weight of 432.52 g/mol, XLogP of 4.94, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2-carbamoyloxyethyl)-N-(3,3-diphenylpropyl)carbamate is sourced from PubChem (CID 59728985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).