benzyl N-(1-amino-1-oxo-3-phenylpropan-2-yl)carbamate

C17H18N2O3 — CID 3800796

IUPACbenzyl N-(1-amino-1-oxo-3-phenylpropan-2-yl)carbamate
SMILESNC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1
InChIInChI=1S/C17H18N2O3/c18-16(20)15(11-13-7-3-1-4-8-13)19-17(21)22-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H2,18,20)(H,19,21)
InChIKeyHHBOFAIEPRHUSR-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.01
Rot. Bonds6

About benzyl N-(1-amino-1-oxo-3-phenylpropan-2-yl)carbamate

benzyl N-(1-amino-1-oxo-3-phenylpropan-2-yl)carbamate (PubChem CID 3800796) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is benzyl N-(1-amino-1-oxo-3-phenylpropan-2-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(1-amino-1-oxo-3-phenylpropan-2-yl)carbamate
PubChem CID3800796
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Namebenzyl N-(1-amino-1-oxo-3-phenylpropan-2-yl)carbamate
SMILESNC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1
InChIInChI=1S/C17H18N2O3/c18-16(20)15(11-13-7-3-1-4-8-13)19-17(21)22-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H2,18,20)(H,19,21)
InChIKeyHHBOFAIEPRHUSR-UHFFFAOYSA-N
XLogP2.01
TPSA81.42 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 ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl N-(1-amino-1-oxo-3-phenylpropan-2-yl)carbamate?
The IUPAC name of benzyl N-(1-amino-1-oxo-3-phenylpropan-2-yl)carbamate (CID 3800796) is benzyl N-(1-amino-1-oxo-3-phenylpropan-2-yl)carbamate.
What is the SMILES notation for benzyl N-(1-amino-1-oxo-3-phenylpropan-2-yl)carbamate?
The canonical SMILES for benzyl N-(1-amino-1-oxo-3-phenylpropan-2-yl)carbamate is NC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(1-amino-1-oxo-3-phenylpropan-2-yl)carbamate?
The InChIKey is HHBOFAIEPRHUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c18-16(20)15(11-13-7-3-1-4-8-13)19-17(21)22-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H2,18,20)(H,19,21).
What are the key properties of benzyl N-(1-amino-1-oxo-3-phenylpropan-2-yl)carbamate?
benzyl N-(1-amino-1-oxo-3-phenylpropan-2-yl)carbamate has a molecular weight of 298.34 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(1-amino-1-oxo-3-phenylpropan-2-yl)carbamate is sourced from PubChem (CID 3800796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).