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

C11H16N2O2 — CID 62663322

IUPACphenyl N-[2-(ethylamino)ethyl]carbamate
SMILESCCNCCNC(=O)Oc1ccccc1
InChIInChI=1S/C11H16N2O2/c1-2-12-8-9-13-11(14)15-10-6-4-3-5-7-10/h3-7,12H,2,8-9H2,1H3,(H,13,14)
InChIKeyAYMBDAVKXAFBSA-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.38
Rot. Bonds5

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

phenyl N-[2-(ethylamino)ethyl]carbamate (PubChem CID 62663322) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is phenyl N-[2-(ethylamino)ethyl]carbamate.

Molecular Properties

Compound Namephenyl N-[2-(ethylamino)ethyl]carbamate
PubChem CID62663322
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Namephenyl N-[2-(ethylamino)ethyl]carbamate
SMILESCCNCCNC(=O)Oc1ccccc1
InChIInChI=1S/C11H16N2O2/c1-2-12-8-9-13-11(14)15-10-6-4-3-5-7-10/h3-7,12H,2,8-9H2,1H3,(H,13,14)
InChIKeyAYMBDAVKXAFBSA-UHFFFAOYSA-N
XLogP1.38
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.38
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-(benzylamino)ethyl]carbamate
CID 59371189
phenyl N-(2-hydroxyethyl)carbamate
CID 10932043
phenyl N-(2-methylsulfanylethyl)carbamate
CID 60637251
phenyl N-[2-[(2-methylbenzoyl)amino]ethyl]carbamate
CID 108574783
phenyl N-(2-phenylethyl)carbamate
CID 12632743
phenyl N-(3-methoxypropyl)carbamate
CID 60636020
phenyl N-[2-[methyl(propyl)amino]ethyl]carbamate
CID 59371177
phenyl N-(3-amino-3-ethylpentyl)carbamate
CID 174465243
phenyl N-(3-bromopropyl)carbamate
CID 142499000
phenyl N-(4-methoxybutyl)carbamate
CID 61073944
2-methyl-4-(phenoxycarbonylamino)butanoic acid
CID 80540498
N-[2-(ethylamino)ethyl]-3-phenoxypropanamide;hydrochloride
CID 119506555

Frequently Asked Questions

What is the IUPAC name of phenyl N-[2-(ethylamino)ethyl]carbamate?
The IUPAC name of phenyl N-[2-(ethylamino)ethyl]carbamate (CID 62663322) is phenyl N-[2-(ethylamino)ethyl]carbamate.
What is the SMILES notation for phenyl N-[2-(ethylamino)ethyl]carbamate?
The canonical SMILES for phenyl N-[2-(ethylamino)ethyl]carbamate is CCNCCNC(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-[2-(ethylamino)ethyl]carbamate?
The InChIKey is AYMBDAVKXAFBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-2-12-8-9-13-11(14)15-10-6-4-3-5-7-10/h3-7,12H,2,8-9H2,1H3,(H,13,14).
What are the key properties of phenyl N-[2-(ethylamino)ethyl]carbamate?
phenyl N-[2-(ethylamino)ethyl]carbamate has a molecular weight of 208.26 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[2-(ethylamino)ethyl]carbamate is sourced from PubChem (CID 62663322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).