methyl N-methoxycarbonyl-N-[2-oxo-2-(2-phenylethylamino)ethyl]carbamate

C14H18N2O5 — CID 122198754

IUPACmethyl N-methoxycarbonyl-N-[2-oxo-2-(2-phenylethylamino)ethyl]carbamate
SMILESCOC(=O)N(CC(=O)NCCc1ccccc1)C(=O)OC
InChIInChI=1S/C14H18N2O5/c1-20-13(18)16(14(19)21-2)10-12(17)15-9-8-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,15,17)
InChIKeyFIOKHWDOCHRXEV-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.18
Rot. Bonds5

About methyl N-methoxycarbonyl-N-[2-oxo-2-(2-phenylethylamino)ethyl]carbamate

methyl N-methoxycarbonyl-N-[2-oxo-2-(2-phenylethylamino)ethyl]carbamate (PubChem CID 122198754) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is methyl N-methoxycarbonyl-N-[2-oxo-2-(2-phenylethylamino)ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-methoxycarbonyl-N-[2-oxo-2-(2-phenylethylamino)ethyl]carbamate
PubChem CID122198754
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Namemethyl N-methoxycarbonyl-N-[2-oxo-2-(2-phenylethylamino)ethyl]carbamate
SMILESCOC(=O)N(CC(=O)NCCc1ccccc1)C(=O)OC
InChIInChI=1S/C14H18N2O5/c1-20-13(18)16(14(19)21-2)10-12(17)15-9-8-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,15,17)
InChIKeyFIOKHWDOCHRXEV-UHFFFAOYSA-N
XLogP1.18
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-oxo-3-(2-phenylethylamino)propanoate
CID 15006667
2-[benzyl(methyl)amino]-N-(2-phenylethyl)acetamide
CID 54808729
2-[[2-oxo-2-(2-phenylethylamino)ethyl]-propan-2-ylamino]acetic acid
CID 60838463
2-[benzyl(methylsulfonyl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 113150436
tert-butyl N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-N-[2-oxo-2-(2-phenylethylamino)ethyl]carbamate
CID 10742955
2-(N-acetyl-2-methoxyanilino)-N-(2-phenylethyl)acetamide
CID 113173145
methyl N-benzyl-N-methoxycarbonylcarbamate
CID 23462472
N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-4-[4-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-[2-oxo-2-(2-phenylethylamino)ethyl]carbamoyl]phenyl]-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide
CID 10629682
4-[2-[[2-[methyl(phenylmethoxycarbonyl)amino]acetyl]amino]ethyl]benzoic acid
CID 174478918
2-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)acetamide
CID 112604896
N-(2-phenylethyl)-4-trimethoxysilylbutanamide
CID 174613430
methyl 8-oxo-8-(2-phenylethylamino)octanoate
CID 42600200

Frequently Asked Questions

What is the IUPAC name of methyl N-methoxycarbonyl-N-[2-oxo-2-(2-phenylethylamino)ethyl]carbamate?
The IUPAC name of methyl N-methoxycarbonyl-N-[2-oxo-2-(2-phenylethylamino)ethyl]carbamate (CID 122198754) is methyl N-methoxycarbonyl-N-[2-oxo-2-(2-phenylethylamino)ethyl]carbamate.
What is the SMILES notation for methyl N-methoxycarbonyl-N-[2-oxo-2-(2-phenylethylamino)ethyl]carbamate?
The canonical SMILES for methyl N-methoxycarbonyl-N-[2-oxo-2-(2-phenylethylamino)ethyl]carbamate is COC(=O)N(CC(=O)NCCc1ccccc1)C(=O)OC.
What is the InChIKey of methyl N-methoxycarbonyl-N-[2-oxo-2-(2-phenylethylamino)ethyl]carbamate?
The InChIKey is FIOKHWDOCHRXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-20-13(18)16(14(19)21-2)10-12(17)15-9-8-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,15,17).
What are the key properties of methyl N-methoxycarbonyl-N-[2-oxo-2-(2-phenylethylamino)ethyl]carbamate?
methyl N-methoxycarbonyl-N-[2-oxo-2-(2-phenylethylamino)ethyl]carbamate has a molecular weight of 294.31 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-methoxycarbonyl-N-[2-oxo-2-(2-phenylethylamino)ethyl]carbamate is sourced from PubChem (CID 122198754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).