benzyl N-[2-(benzhydrylamino)ethyl]carbamate

C23H24N2O2 — CID 139788577

IUPACbenzyl N-[2-(benzhydrylamino)ethyl]carbamate
SMILESO=C(NCCNC(c1ccccc1)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C23H24N2O2/c26-23(27-18-19-10-4-1-5-11-19)25-17-16-24-22(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22,24H,16-18H2,(H,25,26)
InChIKeyFSPTXIHKBSFYEK-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.29
Rot. Bonds8

About benzyl N-[2-(benzhydrylamino)ethyl]carbamate

benzyl N-[2-(benzhydrylamino)ethyl]carbamate (PubChem CID 139788577) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is benzyl N-[2-(benzhydrylamino)ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-(benzhydrylamino)ethyl]carbamate
PubChem CID139788577
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Namebenzyl N-[2-(benzhydrylamino)ethyl]carbamate
SMILESO=C(NCCNC(c1ccccc1)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C23H24N2O2/c26-23(27-18-19-10-4-1-5-11-19)25-17-16-24-22(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22,24H,16-18H2,(H,25,26)
InChIKeyFSPTXIHKBSFYEK-UHFFFAOYSA-N
XLogP4.29
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze benzyl N-[2-(benzhydrylamino)ethyl]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-[(3R)-3-hydroxy-3-phenylpropyl]carbamate
CID 125117230
benzyl N-[2-(methylamino)ethyl]carbamate
CID 10822258
benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631
benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919
benzyl N-(2-benzamidoethyl)carbamate
CID 12715872
benzyl N-(2-amino-2-phenylethyl)carbamate
CID 19016786
phenyl (2R)-2-[2-(phenylmethoxycarbonylamino)ethylamino]propanoate
CID 175023346
benzyl N-[2-[(3-propan-2-ylbenzoyl)amino]ethyl]carbamate
CID 159867528
benzyl N-(3-aminopropyl)carbamate;hydron;chloride
CID 44828785
2-[2-(phenylmethoxycarbonylamino)ethylamino]acetic acid
CID 10354829
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
2-(benzhydrylcarbamoylamino)-5-(phenylmethoxycarbonylamino)pentanoic acid
CID 57147486

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-(benzhydrylamino)ethyl]carbamate?
The IUPAC name of benzyl N-[2-(benzhydrylamino)ethyl]carbamate (CID 139788577) is benzyl N-[2-(benzhydrylamino)ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-(benzhydrylamino)ethyl]carbamate?
The canonical SMILES for benzyl N-[2-(benzhydrylamino)ethyl]carbamate is O=C(NCCNC(c1ccccc1)c1ccccc1)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-(benzhydrylamino)ethyl]carbamate?
The InChIKey is FSPTXIHKBSFYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c26-23(27-18-19-10-4-1-5-11-19)25-17-16-24-22(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22,24H,16-18H2,(H,25,26).
What are the key properties of benzyl N-[2-(benzhydrylamino)ethyl]carbamate?
benzyl N-[2-(benzhydrylamino)ethyl]carbamate has a molecular weight of 360.46 g/mol, XLogP of 4.29, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-(benzhydrylamino)ethyl]carbamate is sourced from PubChem (CID 139788577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).