ethyl N-[(1R)-3-(2-methoxyethylamino)-3-oxo-1-phenylpropyl]carbamate

C15H22N2O4 — CID 126007455

IUPACethyl N-[(1R)-3-(2-methoxyethylamino)-3-oxo-1-phenylpropyl]carbamate
SMILESCCOC(=O)N[C@H](CC(=O)NCCOC)c1ccccc1
InChIInChI=1S/C15H22N2O4/c1-3-21-15(19)17-13(12-7-5-4-6-8-12)11-14(18)16-9-10-20-2/h4-8,13H,3,9-11H2,1-2H3,(H,16,18)(H,17,19)/t13-/m1/s1
InChIKeyZBMIRVKFWQKJAC-CYBMUJFWSA-N
MW294.35 g/mol
LogP1.63
Rot. Bonds8

About ethyl N-[(1R)-3-(2-methoxyethylamino)-3-oxo-1-phenylpropyl]carbamate

ethyl N-[(1R)-3-(2-methoxyethylamino)-3-oxo-1-phenylpropyl]carbamate (PubChem CID 126007455) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is ethyl N-[(1R)-3-(2-methoxyethylamino)-3-oxo-1-phenylpropyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(1R)-3-(2-methoxyethylamino)-3-oxo-1-phenylpropyl]carbamate
PubChem CID126007455
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Nameethyl N-[(1R)-3-(2-methoxyethylamino)-3-oxo-1-phenylpropyl]carbamate
SMILESCCOC(=O)N[C@H](CC(=O)NCCOC)c1ccccc1
InChIInChI=1S/C15H22N2O4/c1-3-21-15(19)17-13(12-7-5-4-6-8-12)11-14(18)16-9-10-20-2/h4-8,13H,3,9-11H2,1-2H3,(H,16,18)(H,17,19)/t13-/m1/s1
InChIKeyZBMIRVKFWQKJAC-CYBMUJFWSA-N
XLogP1.63
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(ethoxycarbonylamino)-3-phenylpropanoic acid;hydrochloride
CID 174330958
ethyl N-[(1S)-3-oxo-1-phenyl-3-[[(1S)-1-phenylethyl]amino]propyl]carbamate
CID 126003498
N-(2-methoxyethyl)-3,3-diphenylpropanamide
CID 2263132
ethyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate
CID 7023599
N-(2-methoxyethyl)-2-(1-phenylpropylamino)acetamide
CID 54845797
3-[[2-(2-methoxyethylamino)acetyl]amino]-3-phenylpropanoic acid
CID 79281949
[(2R)-2-(ethoxycarbonylamino)-2-phenylethyl] ethyl carbonate
CID 102239022
ethyl N-[1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]carbamate
CID 86017823
ethyl (2R)-2-[[2-(2-methoxyethylamino)acetyl]amino]-2-phenylacetate
CID 119706676
ethyl 5-(butoxycarbonylamino)-3-oxo-5-phenylpentanoate
CID 69129442
N-[(1S)-3-(ethylamino)-3-oxo-1-phenylpropyl]benzamide
CID 94041793
ethyl N-[2-oxo-2-(1-phenylethylamino)ethyl]carbamate
CID 47187222

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(1R)-3-(2-methoxyethylamino)-3-oxo-1-phenylpropyl]carbamate?
The IUPAC name of ethyl N-[(1R)-3-(2-methoxyethylamino)-3-oxo-1-phenylpropyl]carbamate (CID 126007455) is ethyl N-[(1R)-3-(2-methoxyethylamino)-3-oxo-1-phenylpropyl]carbamate.
What is the SMILES notation for ethyl N-[(1R)-3-(2-methoxyethylamino)-3-oxo-1-phenylpropyl]carbamate?
The canonical SMILES for ethyl N-[(1R)-3-(2-methoxyethylamino)-3-oxo-1-phenylpropyl]carbamate is CCOC(=O)N[C@H](CC(=O)NCCOC)c1ccccc1.
What is the InChIKey of ethyl N-[(1R)-3-(2-methoxyethylamino)-3-oxo-1-phenylpropyl]carbamate?
The InChIKey is ZBMIRVKFWQKJAC-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-3-21-15(19)17-13(12-7-5-4-6-8-12)11-14(18)16-9-10-20-2/h4-8,13H,3,9-11H2,1-2H3,(H,16,18)(H,17,19)/t13-/m1/s1.
What are the key properties of ethyl N-[(1R)-3-(2-methoxyethylamino)-3-oxo-1-phenylpropyl]carbamate?
ethyl N-[(1R)-3-(2-methoxyethylamino)-3-oxo-1-phenylpropyl]carbamate has a molecular weight of 294.35 g/mol, XLogP of 1.63, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(1R)-3-(2-methoxyethylamino)-3-oxo-1-phenylpropyl]carbamate is sourced from PubChem (CID 126007455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).