benzyl N-(2-phenylethyl)-N-propylcarbamate

C19H23NO2 — CID 141214561

IUPACbenzyl N-(2-phenylethyl)-N-propylcarbamate
SMILESCCCN(CCc1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C19H23NO2/c1-2-14-20(15-13-17-9-5-3-6-10-17)19(21)22-16-18-11-7-4-8-12-18/h3-12H,2,13-16H2,1H3
InChIKeyHCDMBIUIZJPIKI-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.28
Rot. Bonds7

About benzyl N-(2-phenylethyl)-N-propylcarbamate

benzyl N-(2-phenylethyl)-N-propylcarbamate (PubChem CID 141214561) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is benzyl N-(2-phenylethyl)-N-propylcarbamate.

Molecular Properties

Compound Namebenzyl N-(2-phenylethyl)-N-propylcarbamate
PubChem CID141214561
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Namebenzyl N-(2-phenylethyl)-N-propylcarbamate
SMILESCCCN(CCc1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C19H23NO2/c1-2-14-20(15-13-17-9-5-3-6-10-17)19(21)22-16-18-11-7-4-8-12-18/h3-12H,2,13-16H2,1H3
InChIKeyHCDMBIUIZJPIKI-UHFFFAOYSA-N
XLogP4.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl N-ethyl-N-propylcarbamate
CID 126656974
2-phenylethyl N,N-dipropylcarbamate
CID 11096967
benzyl N-[3-(aminomethyl)pentyl]-N-propylcarbamate
CID 138644331
benzyl N-(2-phenylethyl)-N-prop-2-enylcarbamate
CID 102443361
benzyl N,N-bis(2-hydroxyethyl)carbamate
CID 23498447
benzyl N-cyclopropyl-N-propylcarbamate
CID 130159300
benzyl N-benzyl-N-ethylcarbamate
CID 70968693
benzyl N,N-dimethylcarbamate
CID 12963450
ethyl N-(2-phenylethyl)-N-phenylmethoxycarbamate
CID 125470333
2-[acetyl(2-phenylethyl)amino]-N,N-dipropylacetamide
CID 113164026
3-[2-(3-methylphenyl)ethyl-phenylmethoxycarbonylamino]propanoate
CID 59360918
benzyl N-(3-aminopropyl)-N-[4-[3-[bis(3-phenylpropyl)amino]propyl-phenylmethoxycarbonylamino]butyl]carbamate
CID 102016022

Frequently Asked Questions

What is the IUPAC name of benzyl N-(2-phenylethyl)-N-propylcarbamate?
The IUPAC name of benzyl N-(2-phenylethyl)-N-propylcarbamate (CID 141214561) is benzyl N-(2-phenylethyl)-N-propylcarbamate.
What is the SMILES notation for benzyl N-(2-phenylethyl)-N-propylcarbamate?
The canonical SMILES for benzyl N-(2-phenylethyl)-N-propylcarbamate is CCCN(CCc1ccccc1)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(2-phenylethyl)-N-propylcarbamate?
The InChIKey is HCDMBIUIZJPIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-2-14-20(15-13-17-9-5-3-6-10-17)19(21)22-16-18-11-7-4-8-12-18/h3-12H,2,13-16H2,1H3.
What are the key properties of benzyl N-(2-phenylethyl)-N-propylcarbamate?
benzyl N-(2-phenylethyl)-N-propylcarbamate has a molecular weight of 297.40 g/mol, XLogP of 4.28, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2-phenylethyl)-N-propylcarbamate is sourced from PubChem (CID 141214561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).