phenyl N-[2-(benzylamino)ethyl]carbamate

C16H18N2O2 — CID 59371189

IUPACphenyl N-[2-(benzylamino)ethyl]carbamate
SMILESO=C(NCCNCc1ccccc1)Oc1ccccc1
InChIInChI=1S/C16H18N2O2/c19-16(20-15-9-5-2-6-10-15)18-12-11-17-13-14-7-3-1-4-8-14/h1-10,17H,11-13H2,(H,18,19)
InChIKeyIMHWTTYNTLXBIY-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.56
Rot. Bonds6

About phenyl N-[2-(benzylamino)ethyl]carbamate

phenyl N-[2-(benzylamino)ethyl]carbamate (PubChem CID 59371189) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is phenyl N-[2-(benzylamino)ethyl]carbamate.

Molecular Properties

Compound Namephenyl N-[2-(benzylamino)ethyl]carbamate
PubChem CID59371189
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Namephenyl N-[2-(benzylamino)ethyl]carbamate
SMILESO=C(NCCNCc1ccccc1)Oc1ccccc1
InChIInChI=1S/C16H18N2O2/c19-16(20-15-9-5-2-6-10-15)18-12-11-17-13-14-7-3-1-4-8-14/h1-10,17H,11-13H2,(H,18,19)
InChIKeyIMHWTTYNTLXBIY-UHFFFAOYSA-N
XLogP2.56
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

phenyl N-[2-(ethylamino)ethyl]carbamate
CID 62663322
phenyl N-(2-phenylethyl)carbamate
CID 12632743
tert-butyl N-[2-(benzylamino)ethyl]carbamate;hydrochloride
CID 14418525
N-[2-(benzylamino)ethyl]-2-phenoxyacetamide
CID 12876184
phenyl N-(2-hydroxyethyl)carbamate
CID 10932043
(4-phenylphenyl) N-benzylcarbamate
CID 25174478
(4-methylphenyl) N-benzylcarbamate
CID 14292552
phenyl N-(3-bromopropyl)carbamate
CID 142499000
N-[2-(benzylamino)ethyl]propanamide
CID 54513126
(4-methylphenyl) N-(2-phenylethyl)carbamate
CID 10801006
phenyl N-(2-methylsulfanylethyl)carbamate
CID 60637251
phenyl N-[2-[(2-methylbenzoyl)amino]ethyl]carbamate
CID 108574783

Frequently Asked Questions

What is the IUPAC name of phenyl N-[2-(benzylamino)ethyl]carbamate?
The IUPAC name of phenyl N-[2-(benzylamino)ethyl]carbamate (CID 59371189) is phenyl N-[2-(benzylamino)ethyl]carbamate.
What is the SMILES notation for phenyl N-[2-(benzylamino)ethyl]carbamate?
The canonical SMILES for phenyl N-[2-(benzylamino)ethyl]carbamate is O=C(NCCNCc1ccccc1)Oc1ccccc1.
What is the InChIKey of phenyl N-[2-(benzylamino)ethyl]carbamate?
The InChIKey is IMHWTTYNTLXBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c19-16(20-15-9-5-2-6-10-15)18-12-11-17-13-14-7-3-1-4-8-14/h1-10,17H,11-13H2,(H,18,19).
What are the key properties of phenyl N-[2-(benzylamino)ethyl]carbamate?
phenyl N-[2-(benzylamino)ethyl]carbamate has a molecular weight of 270.33 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[2-(benzylamino)ethyl]carbamate is sourced from PubChem (CID 59371189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).