tert-butyl N-[2-oxo-2-[[2-oxo-2-(phenylmethoxyamino)ethyl]amino]ethyl]carbamate

C16H23N3O5 — CID 10382434

IUPACtert-butyl N-[2-oxo-2-[[2-oxo-2-(phenylmethoxyamino)ethyl]amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)NCC(=O)NOCc1ccccc1
InChIInChI=1S/C16H23N3O5/c1-16(2,3)24-15(22)18-9-13(20)17-10-14(21)19-23-11-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3,(H,17,20)(H,18,22)(H,19,21)
InChIKeyAPZFKBGAVVZSKS-UHFFFAOYSA-N
MW337.38 g/mol
LogP0.88
Rot. Bonds7

About tert-butyl N-[2-oxo-2-[[2-oxo-2-(phenylmethoxyamino)ethyl]amino]ethyl]carbamate

tert-butyl N-[2-oxo-2-[[2-oxo-2-(phenylmethoxyamino)ethyl]amino]ethyl]carbamate (PubChem CID 10382434) has the molecular formula C16H23N3O5 and a molecular weight of 337.38 g/mol. Its IUPAC name is tert-butyl N-[2-oxo-2-[[2-oxo-2-(phenylmethoxyamino)ethyl]amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-oxo-2-[[2-oxo-2-(phenylmethoxyamino)ethyl]amino]ethyl]carbamate
PubChem CID10382434
Molecular FormulaC16H23N3O5
Molecular Weight337.38 g/mol
Exact Mass337.16
IUPAC Nametert-butyl N-[2-oxo-2-[[2-oxo-2-(phenylmethoxyamino)ethyl]amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)NCC(=O)NOCc1ccccc1
InChIInChI=1S/C16H23N3O5/c1-16(2,3)24-15(22)18-9-13(20)17-10-14(21)19-23-11-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3,(H,17,20)(H,18,22)(H,19,21)
InChIKeyAPZFKBGAVVZSKS-UHFFFAOYSA-N
XLogP0.88
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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tert-butyl N-[2-(benzylamino)-2-oxoethyl]carbamate;methanamine
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tert-butyl N-[7-oxo-7-(phenylmethoxyamino)heptyl]carbamate
CID 59535553
benzyl N-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methylcarbamoylamino]-2-oxoethyl]carbamate
CID 118927750
methyl (2S)-2-amino-3-phenylpropanoate;2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetic acid
CID 131713324
tert-butyl 2-[(2R,3S,4R,5R,6R)-6-[[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]oxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]acetate
CID 102284391
benzyl 2-[[2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetyl]amino]acetate
CID 131720212
benzyl N-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]cyclohexyl]carbamate
CID 68827567
benzyl (4S)-4-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetyl]amino]-5-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-5-oxopentanoate
CID 102113692
methyl (2S)-2-[[(2S)-2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoate
CID 98142265
methyl (2R)-2-[[(2R)-2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoate
CID 98142268

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-oxo-2-[[2-oxo-2-(phenylmethoxyamino)ethyl]amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-oxo-2-[[2-oxo-2-(phenylmethoxyamino)ethyl]amino]ethyl]carbamate (CID 10382434) is tert-butyl N-[2-oxo-2-[[2-oxo-2-(phenylmethoxyamino)ethyl]amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-oxo-2-[[2-oxo-2-(phenylmethoxyamino)ethyl]amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-oxo-2-[[2-oxo-2-(phenylmethoxyamino)ethyl]amino]ethyl]carbamate is CC(C)(C)OC(=O)NCC(=O)NCC(=O)NOCc1ccccc1.
What is the InChIKey of tert-butyl N-[2-oxo-2-[[2-oxo-2-(phenylmethoxyamino)ethyl]amino]ethyl]carbamate?
The InChIKey is APZFKBGAVVZSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O5/c1-16(2,3)24-15(22)18-9-13(20)17-10-14(21)19-23-11-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3,(H,17,20)(H,18,22)(H,19,21).
What are the key properties of tert-butyl N-[2-oxo-2-[[2-oxo-2-(phenylmethoxyamino)ethyl]amino]ethyl]carbamate?
tert-butyl N-[2-oxo-2-[[2-oxo-2-(phenylmethoxyamino)ethyl]amino]ethyl]carbamate has a molecular weight of 337.38 g/mol, XLogP of 0.88, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-oxo-2-[[2-oxo-2-(phenylmethoxyamino)ethyl]amino]ethyl]carbamate is sourced from PubChem (CID 10382434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).