2-phenylethyl N-carbamoylcarbamate

C10H12N2O3 — CID 3027882

IUPAC2-phenylethyl N-carbamoylcarbamate
SMILESNC(=O)NC(=O)OCCc1ccccc1
InChIInChI=1S/C10H12N2O3/c11-9(13)12-10(14)15-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H3,11,12,13,14)
InChIKeyVMXIGXJWVNCMDE-UHFFFAOYSA-N
MW208.22 g/mol
LogP1.03
Rot. Bonds3

About 2-phenylethyl N-carbamoylcarbamate

2-phenylethyl N-carbamoylcarbamate (PubChem CID 3027882) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-phenylethyl N-carbamoylcarbamate.

Molecular Properties

Compound Name2-phenylethyl N-carbamoylcarbamate
PubChem CID3027882
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name2-phenylethyl N-carbamoylcarbamate
SMILESNC(=O)NC(=O)OCCc1ccccc1
InChIInChI=1S/C10H12N2O3/c11-9(13)12-10(14)15-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H3,11,12,13,14)
InChIKeyVMXIGXJWVNCMDE-UHFFFAOYSA-N
XLogP1.03
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-phenylethoxycarbonylamino)oxyacetic acid
CID 91667031
2-phenylethyl N-propan-2-ylcarbamate
CID 23548887
2-phenylethyl N-(4-phenylbutyl)carbamate
CID 23058488
2-phenylethyl acetate
CID 7654
2-phenylethyl 2-aminoprop-2-enoate
CID 19357551
4-phenylbutyl N-(2,2-diphenylacetyl)carbamate
CID 54427908
2-phenylethyl N-(oxetan-3-yl)carbamate
CID 141187105
bis(2-phenylethyl) (2S,3S)-2,3-dihydroxybutanedioate
CID 70936130
benzyl N-(carbamoylamino)carbamate
CID 141421180
acetic acid;2-phenylethyl acetate
CID 174791962
carbamothioic S-acid;O-(2-phenylethyl) carbamothioate
CID 118658866
2-phenylethyl N-(cyclopentylmethyl)carbamate
CID 57081280

Frequently Asked Questions

What is the IUPAC name of 2-phenylethyl N-carbamoylcarbamate?
The IUPAC name of 2-phenylethyl N-carbamoylcarbamate (CID 3027882) is 2-phenylethyl N-carbamoylcarbamate.
What is the SMILES notation for 2-phenylethyl N-carbamoylcarbamate?
The canonical SMILES for 2-phenylethyl N-carbamoylcarbamate is NC(=O)NC(=O)OCCc1ccccc1.
What is the InChIKey of 2-phenylethyl N-carbamoylcarbamate?
The InChIKey is VMXIGXJWVNCMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c11-9(13)12-10(14)15-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H3,11,12,13,14).
What are the key properties of 2-phenylethyl N-carbamoylcarbamate?
2-phenylethyl N-carbamoylcarbamate has a molecular weight of 208.22 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethyl N-carbamoylcarbamate is sourced from PubChem (CID 3027882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).