benzyl N-[2-(benzylamino)-2-oxoethyl]carbamate

C17H18N2O3 — CID 3101231

IUPACbenzyl N-[2-(benzylamino)-2-oxoethyl]carbamate
SMILESO=C(CNC(=O)OCc1ccccc1)NCc1ccccc1
InChIInChI=1S/C17H18N2O3/c20-16(18-11-14-7-3-1-4-8-14)12-19-17(21)22-13-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,18,20)(H,19,21)
InChIKeyNSKUQQWQCNZNIV-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.23
Rot. Bonds6

About benzyl N-[2-(benzylamino)-2-oxoethyl]carbamate

benzyl N-[2-(benzylamino)-2-oxoethyl]carbamate (PubChem CID 3101231) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is benzyl N-[2-(benzylamino)-2-oxoethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-(benzylamino)-2-oxoethyl]carbamate
PubChem CID3101231
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Namebenzyl N-[2-(benzylamino)-2-oxoethyl]carbamate
SMILESO=C(CNC(=O)OCc1ccccc1)NCc1ccccc1
InChIInChI=1S/C17H18N2O3/c20-16(18-11-14-7-3-1-4-8-14)12-19-17(21)22-13-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,18,20)(H,19,21)
InChIKeyNSKUQQWQCNZNIV-UHFFFAOYSA-N
XLogP2.23
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 72430
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CID 122019
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CID 11444450
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CID 444425
CID 444425
CID 736777
CID 736777
CID 24898024
CID 24898024
CID 5289345
CID 5289345
CID 5311161
CID 5311161
CID 11702208
CID 11702208
CID 455772
CID 455772
CID 44342482
CID 44342482
CID 9837961
CID 9837961

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-(benzylamino)-2-oxoethyl]carbamate?
The IUPAC name of benzyl N-[2-(benzylamino)-2-oxoethyl]carbamate (CID 3101231) is benzyl N-[2-(benzylamino)-2-oxoethyl]carbamate.
What is the SMILES notation for benzyl N-[2-(benzylamino)-2-oxoethyl]carbamate?
The canonical SMILES for benzyl N-[2-(benzylamino)-2-oxoethyl]carbamate is O=C(CNC(=O)OCc1ccccc1)NCc1ccccc1.
What is the InChIKey of benzyl N-[2-(benzylamino)-2-oxoethyl]carbamate?
The InChIKey is NSKUQQWQCNZNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c20-16(18-11-14-7-3-1-4-8-14)12-19-17(21)22-13-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,18,20)(H,19,21).
What are the key properties of benzyl N-[2-(benzylamino)-2-oxoethyl]carbamate?
benzyl N-[2-(benzylamino)-2-oxoethyl]carbamate has a molecular weight of 298.34 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-(benzylamino)-2-oxoethyl]carbamate is sourced from PubChem (CID 3101231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).