benzyl N-[(1R)-1-(4-oxopyrido[2,3-d][1,3]oxazin-2-yl)-3-(phenylmethoxycarbonylamino)propyl]carbamate

C26H24N4O6 — CID 58601580

IUPACbenzyl N-[(1R)-1-(4-oxopyrido[2,3-d][1,3]oxazin-2-yl)-3-(phenylmethoxycarbonylamino)propyl]carbamate
SMILESO=C(NCC[C@@H](NC(=O)OCc1ccccc1)c1nc2ncccc2c(=O)o1)OCc1ccccc1
InChIInChI=1S/C26H24N4O6/c31-24-20-12-7-14-27-22(20)30-23(36-24)21(29-26(33)35-17-19-10-5-2-6-11-19)13-15-28-25(32)34-16-18-8-3-1-4-9-18/h1-12,14,21H,13,15-17H2,(H,28,32)(H,29,33)/t21-/m1/s1
InChIKeyHGWRYSWUHPMNKV-OAQYLSRUSA-N
MW488.50 g/mol
LogP3.87
Rot. Bonds9

About benzyl N-[(1R)-1-(4-oxopyrido[2,3-d][1,3]oxazin-2-yl)-3-(phenylmethoxycarbonylamino)propyl]carbamate

benzyl N-[(1R)-1-(4-oxopyrido[2,3-d][1,3]oxazin-2-yl)-3-(phenylmethoxycarbonylamino)propyl]carbamate (PubChem CID 58601580) has the molecular formula C26H24N4O6 and a molecular weight of 488.50 g/mol. Its IUPAC name is benzyl N-[(1R)-1-(4-oxopyrido[2,3-d][1,3]oxazin-2-yl)-3-(phenylmethoxycarbonylamino)propyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1R)-1-(4-oxopyrido[2,3-d][1,3]oxazin-2-yl)-3-(phenylmethoxycarbonylamino)propyl]carbamate
PubChem CID58601580
Molecular FormulaC26H24N4O6
Molecular Weight488.50 g/mol
Exact Mass488.17
IUPAC Namebenzyl N-[(1R)-1-(4-oxopyrido[2,3-d][1,3]oxazin-2-yl)-3-(phenylmethoxycarbonylamino)propyl]carbamate
SMILESO=C(NCC[C@@H](NC(=O)OCc1ccccc1)c1nc2ncccc2c(=O)o1)OCc1ccccc1
InChIInChI=1S/C26H24N4O6/c31-24-20-12-7-14-27-22(20)30-23(36-24)21(29-26(33)35-17-19-10-5-2-6-11-19)13-15-28-25(32)34-16-18-8-3-1-4-9-18/h1-12,14,21H,13,15-17H2,(H,28,32)(H,29,33)/t21-/m1/s1
InChIKeyHGWRYSWUHPMNKV-OAQYLSRUSA-N
XLogP3.87
TPSA132.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.50
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze benzyl N-[(1R)-1-(4-oxopyrido[2,3-d][1,3]oxazin-2-yl)-3-(phenylmethoxycarbonylamino)propyl]carbamate with MolForge

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Related Compounds

benzyl N-[1-(4-oxo-3,1-benzoxazin-2-yl)-2-phenylethyl]carbamate
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benzyl N-[4-(2-bromo-3-pyridinyl)-3,4-dihydroxybutyl]carbamate
CID 171889485
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benzyl N-[(3R)-3-hydroxy-3-phenylpropyl]carbamate
CID 125117230
benzyl N-(3,4-dihydroxybutyl)carbamate
CID 66736526
2-(phenylmethoxycarbonylamino)-4-pyridin-2-ylbutanoic acid
CID 103666139
3-isoquinolin-1-yl-2-(phenylmethoxycarbonylamino)propanoic acid
CID 166000296
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(2S)-4-acetamido-2-(phenylmethoxycarbonylamino)butanoic acid
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benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1R)-1-(4-oxopyrido[2,3-d][1,3]oxazin-2-yl)-3-(phenylmethoxycarbonylamino)propyl]carbamate?
The IUPAC name of benzyl N-[(1R)-1-(4-oxopyrido[2,3-d][1,3]oxazin-2-yl)-3-(phenylmethoxycarbonylamino)propyl]carbamate (CID 58601580) is benzyl N-[(1R)-1-(4-oxopyrido[2,3-d][1,3]oxazin-2-yl)-3-(phenylmethoxycarbonylamino)propyl]carbamate.
What is the SMILES notation for benzyl N-[(1R)-1-(4-oxopyrido[2,3-d][1,3]oxazin-2-yl)-3-(phenylmethoxycarbonylamino)propyl]carbamate?
The canonical SMILES for benzyl N-[(1R)-1-(4-oxopyrido[2,3-d][1,3]oxazin-2-yl)-3-(phenylmethoxycarbonylamino)propyl]carbamate is O=C(NCC[C@@H](NC(=O)OCc1ccccc1)c1nc2ncccc2c(=O)o1)OCc1ccccc1.
What is the InChIKey of benzyl N-[(1R)-1-(4-oxopyrido[2,3-d][1,3]oxazin-2-yl)-3-(phenylmethoxycarbonylamino)propyl]carbamate?
The InChIKey is HGWRYSWUHPMNKV-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H24N4O6/c31-24-20-12-7-14-27-22(20)30-23(36-24)21(29-26(33)35-17-19-10-5-2-6-11-19)13-15-28-25(32)34-16-18-8-3-1-4-9-18/h1-12,14,21H,13,15-17H2,(H,28,32)(H,29,33)/t21-/m1/s1.
What are the key properties of benzyl N-[(1R)-1-(4-oxopyrido[2,3-d][1,3]oxazin-2-yl)-3-(phenylmethoxycarbonylamino)propyl]carbamate?
benzyl N-[(1R)-1-(4-oxopyrido[2,3-d][1,3]oxazin-2-yl)-3-(phenylmethoxycarbonylamino)propyl]carbamate has a molecular weight of 488.50 g/mol, XLogP of 3.87, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1R)-1-(4-oxopyrido[2,3-d][1,3]oxazin-2-yl)-3-(phenylmethoxycarbonylamino)propyl]carbamate is sourced from PubChem (CID 58601580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).