2-phenylethyl N,N-dipropylcarbamate

C15H23NO2 — CID 11096967

IUPAC2-phenylethyl N,N-dipropylcarbamate
SMILESCCCN(CCC)C(=O)OCCc1ccccc1
InChIInChI=1S/C15H23NO2/c1-3-11-16(12-4-2)15(17)18-13-10-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3
InChIKeyDVUBRCTUVDJOOT-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.49
Rot. Bonds7

About 2-phenylethyl N,N-dipropylcarbamate

2-phenylethyl N,N-dipropylcarbamate (PubChem CID 11096967) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-phenylethyl N,N-dipropylcarbamate.

Molecular Properties

Compound Name2-phenylethyl N,N-dipropylcarbamate
PubChem CID11096967
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-phenylethyl N,N-dipropylcarbamate
SMILESCCCN(CCC)C(=O)OCCc1ccccc1
InChIInChI=1S/C15H23NO2/c1-3-11-16(12-4-2)15(17)18-13-10-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3
InChIKeyDVUBRCTUVDJOOT-UHFFFAOYSA-N
XLogP3.49
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl N-(2-phenylethyl)-N-propylcarbamate
CID 141214561
benzyl N-ethyl-N-propylcarbamate
CID 126656974
2-phenylethyl acetate
CID 7654
benzyl N-[3-(aminomethyl)pentyl]-N-propylcarbamate
CID 138644331
N,N-dimethylmethanamine;2-phenylethyl acetate
CID 67859846
N-(2-aminoethyl)-3-phenyl-N-propylpropanamide
CID 61348391
acetic acid;2-phenylethyl acetate
CID 174791962
2-anilinoethyl N-ethyl-N-propylcarbamate
CID 70360533
1-O-hexadecyl 2-O-(2-phenylethyl) oxalate
CID 6421916
1-O-dodecyl 2-O-(2-phenylethyl) oxalate
CID 6421914
N-methyl-2-(2-phenylethoxy)-N-propylacetamide
CID 86872280
carbamothioic S-acid;O-(2-phenylethyl) N,N-diethylcarbamothioate
CID 87217937

Frequently Asked Questions

What is the IUPAC name of 2-phenylethyl N,N-dipropylcarbamate?
The IUPAC name of 2-phenylethyl N,N-dipropylcarbamate (CID 11096967) is 2-phenylethyl N,N-dipropylcarbamate.
What is the SMILES notation for 2-phenylethyl N,N-dipropylcarbamate?
The canonical SMILES for 2-phenylethyl N,N-dipropylcarbamate is CCCN(CCC)C(=O)OCCc1ccccc1.
What is the InChIKey of 2-phenylethyl N,N-dipropylcarbamate?
The InChIKey is DVUBRCTUVDJOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-11-16(12-4-2)15(17)18-13-10-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3.
What are the key properties of 2-phenylethyl N,N-dipropylcarbamate?
2-phenylethyl N,N-dipropylcarbamate has a molecular weight of 249.35 g/mol, XLogP of 3.49, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethyl N,N-dipropylcarbamate is sourced from PubChem (CID 11096967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).