benzyl N-[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]carbamate

C21H20N2O3 — CID 51062750

IUPACbenzyl N-[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]carbamate
SMILESC[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C21H20N2O3/c1-15(22-21(25)26-14-16-7-3-2-4-8-16)20(24)23-19-12-11-17-9-5-6-10-18(17)13-19/h2-13,15H,14H2,1H3,(H,22,25)(H,23,24)/t15-/m1/s1
InChIKeyPTRXMEBOWZBSJT-OAHLLOKOSA-N
MW348.40 g/mol
LogP4.09
Rot. Bonds5

About benzyl N-[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]carbamate

benzyl N-[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]carbamate (PubChem CID 51062750) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is benzyl N-[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]carbamate
PubChem CID51062750
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Namebenzyl N-[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]carbamate
SMILESC[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C21H20N2O3/c1-15(22-21(25)26-14-16-7-3-2-4-8-16)20(24)23-19-12-11-17-9-5-6-10-18(17)13-19/h2-13,15H,14H2,1H3,(H,22,25)(H,23,24)/t15-/m1/s1
InChIKeyPTRXMEBOWZBSJT-OAHLLOKOSA-N
XLogP4.09
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]carbamate (CID 51062750) is benzyl N-[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]carbamate is C[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of benzyl N-[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]carbamate?
The InChIKey is PTRXMEBOWZBSJT-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-15(22-21(25)26-14-16-7-3-2-4-8-16)20(24)23-19-12-11-17-9-5-6-10-18(17)13-19/h2-13,15H,14H2,1H3,(H,22,25)(H,23,24)/t15-/m1/s1.
What are the key properties of benzyl N-[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]carbamate?
benzyl N-[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]carbamate has a molecular weight of 348.40 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 51062750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).