2-phenylmethoxyethyl N-(2-aminoethyl)carbamate

C12H18N2O3 — CID 129321267

IUPAC2-phenylmethoxyethyl N-(2-aminoethyl)carbamate
SMILESNCCNC(=O)OCCOCc1ccccc1
InChIInChI=1S/C12H18N2O3/c13-6-7-14-12(15)17-9-8-16-10-11-4-2-1-3-5-11/h1-5H,6-10,13H2,(H,14,15)
InChIKeyWDZYMLDBJBOIKP-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.89
Rot. Bonds7

About 2-phenylmethoxyethyl N-(2-aminoethyl)carbamate

2-phenylmethoxyethyl N-(2-aminoethyl)carbamate (PubChem CID 129321267) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-phenylmethoxyethyl N-(2-aminoethyl)carbamate.

Molecular Properties

Compound Name2-phenylmethoxyethyl N-(2-aminoethyl)carbamate
PubChem CID129321267
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-phenylmethoxyethyl N-(2-aminoethyl)carbamate
SMILESNCCNC(=O)OCCOCc1ccccc1
InChIInChI=1S/C12H18N2O3/c13-6-7-14-12(15)17-9-8-16-10-11-4-2-1-3-5-11/h1-5H,6-10,13H2,(H,14,15)
InChIKeyWDZYMLDBJBOIKP-UHFFFAOYSA-N
XLogP0.89
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 162341693
butyl N-[5-[2-(2-phenylmethoxyethoxy)ethoxy]pentyl]carbamate
CID 156757449
N-(2-aminoethyl)-3-[[3-(2-aminoethylamino)-3-oxopropyl]-[2-[3-[[3-[2-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]-[2-[3-[[3-[2-[bis[3-[2-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]ethylamino]-3-oxopropyl]-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethyl]amino]propanoylamino]ethyl]amino]propanoylamino]ethyl]amino]propanamide
CID 11528319
2-phenylmethoxyethyl N-cyclopropylcarbamate
CID 141440519
benzyl N-[2-[2-(2-aminooxyethoxy)ethoxy]ethyl]carbamate
CID 178184257
cyclodecapentaenylmethyl N-[2-[bis(2-aminoethyl)amino]ethyl]carbamate
CID 163963342
aminomethyl 2-phenylmethoxyethyl carbonate
CID 134483943
benzyl N-(3-aminopropyl)carbamate;hydron;chloride
CID 44828785
N-(2-aminoethyl)-2-(2-phenylethoxy)acetamide
CID 114988878
tert-butyl N-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 140765220
ethane;2-phenylmethoxyethanamine
CID 142016503
2-aminoethyl-[2-(phenylmethoxycarbonylamino)ethyl]carbamic acid
CID 151534176

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxyethyl N-(2-aminoethyl)carbamate?
The IUPAC name of 2-phenylmethoxyethyl N-(2-aminoethyl)carbamate (CID 129321267) is 2-phenylmethoxyethyl N-(2-aminoethyl)carbamate.
What is the SMILES notation for 2-phenylmethoxyethyl N-(2-aminoethyl)carbamate?
The canonical SMILES for 2-phenylmethoxyethyl N-(2-aminoethyl)carbamate is NCCNC(=O)OCCOCc1ccccc1.
What is the InChIKey of 2-phenylmethoxyethyl N-(2-aminoethyl)carbamate?
The InChIKey is WDZYMLDBJBOIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c13-6-7-14-12(15)17-9-8-16-10-11-4-2-1-3-5-11/h1-5H,6-10,13H2,(H,14,15).
What are the key properties of 2-phenylmethoxyethyl N-(2-aminoethyl)carbamate?
2-phenylmethoxyethyl N-(2-aminoethyl)carbamate has a molecular weight of 238.29 g/mol, XLogP of 0.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxyethyl N-(2-aminoethyl)carbamate is sourced from PubChem (CID 129321267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).