1-phenylethyl N-carbamoylcarbamate

C10H12N2O3 — CID 3027881

IUPAC1-phenylethyl N-carbamoylcarbamate
SMILESCC(OC(=O)NC(N)=O)c1ccccc1
InChIInChI=1S/C10H12N2O3/c1-7(8-5-3-2-4-6-8)15-10(14)12-9(11)13/h2-7H,1H3,(H3,11,12,13,14)
InChIKeyPYJGXCNXONGNRV-UHFFFAOYSA-N
MW208.22 g/mol
LogP1.55
Rot. Bonds2

About 1-phenylethyl N-carbamoylcarbamate

1-phenylethyl N-carbamoylcarbamate (PubChem CID 3027881) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 1-phenylethyl N-carbamoylcarbamate.

Molecular Properties

Compound Name1-phenylethyl N-carbamoylcarbamate
PubChem CID3027881
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name1-phenylethyl N-carbamoylcarbamate
SMILESCC(OC(=O)NC(N)=O)c1ccccc1
InChIInChI=1S/C10H12N2O3/c1-7(8-5-3-2-4-6-8)15-10(14)12-9(11)13/h2-7H,1H3,(H3,11,12,13,14)
InChIKeyPYJGXCNXONGNRV-UHFFFAOYSA-N
XLogP1.55
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R)-1-phenylethyl] 2,2-diphenylacetate
CID 11001611
[(1S)-1-phenylethyl] N-(aminomethoxy)carbamate
CID 139568949
1-phenylethyl (2S)-2-aminopropanoate
CID 61279668
[(1R)-1-phenylethyl] acetate;[(1S)-1-phenylethyl] acetate
CID 76968517
[(1S)-1-phenylethyl] 2-methyl-3-oxobutanoate
CID 11746142
[(1S)-1-phenylethyl] 2-aminoacetate
CID 92978574
[2-(carbamoylamino)-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate
CID 7772578
[(1S)-1-phenylethyl] N-[(E)-4-aminobut-2-enyl]carbamate
CID 156899526
1-phenylethyl N-prop-2-enylcarbamate
CID 67912904
1-phenylethyl N-(2-chlorophenyl)carbamate
CID 174361176
1-phenylethyl benzoate
CID 174857426
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] (2S,3R)-3-methyl-2-phenylpentanoate
CID 7772782

Frequently Asked Questions

What is the IUPAC name of 1-phenylethyl N-carbamoylcarbamate?
The IUPAC name of 1-phenylethyl N-carbamoylcarbamate (CID 3027881) is 1-phenylethyl N-carbamoylcarbamate.
What is the SMILES notation for 1-phenylethyl N-carbamoylcarbamate?
The canonical SMILES for 1-phenylethyl N-carbamoylcarbamate is CC(OC(=O)NC(N)=O)c1ccccc1.
What is the InChIKey of 1-phenylethyl N-carbamoylcarbamate?
The InChIKey is PYJGXCNXONGNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-7(8-5-3-2-4-6-8)15-10(14)12-9(11)13/h2-7H,1H3,(H3,11,12,13,14).
What are the key properties of 1-phenylethyl N-carbamoylcarbamate?
1-phenylethyl N-carbamoylcarbamate has a molecular weight of 208.22 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylethyl N-carbamoylcarbamate is sourced from PubChem (CID 3027881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).