ethyl N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]carbamate

C15H22N2O4 — CID 108573122

IUPACethyl N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]carbamate
SMILESCCOC(=O)NCCNC(=O)Cc1ccc(OCC)cc1
InChIInChI=1S/C15H22N2O4/c1-3-20-13-7-5-12(6-8-13)11-14(18)16-9-10-17-15(19)21-4-2/h5-8H,3-4,9-11H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyLKQSHRZFPZWQST-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.49
Rot. Bonds8

About ethyl N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]carbamate

ethyl N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]carbamate (PubChem CID 108573122) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is ethyl N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]carbamate
PubChem CID108573122
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Nameethyl N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]carbamate
SMILESCCOC(=O)NCCNC(=O)Cc1ccc(OCC)cc1
InChIInChI=1S/C15H22N2O4/c1-3-20-13-7-5-12(6-8-13)11-14(18)16-9-10-17-15(19)21-4-2/h5-8H,3-4,9-11H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyLKQSHRZFPZWQST-UHFFFAOYSA-N
XLogP1.49
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 ≤ 51.49
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

N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]butanamide
CID 108573115
N-[2-(2-aminoethoxy)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 82354234
N-[2-(dimethylamino)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 110757113
N-but-3-enyl-2-(4-ethoxyphenyl)acetamide
CID 113466030
N-[2-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethylamino]-2-oxoethyl]benzamide
CID 108539279
N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]furan-2-carboxamide
CID 108539017
2-cyano-N-[3-[[2-(4-ethoxyphenyl)acetyl]amino]propyl]acetamide
CID 108924311
N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]-3-hydroxybenzamide
CID 108541923
N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]-2,4-difluorobenzamide
CID 108573126
N-[2-(4-methylphenoxy)ethyl]-2-(4-methylphenyl)acetamide
CID 40724453
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-2-(4-ethoxyphenyl)acetamide
CID 108573109
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 17386439

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]carbamate?
The IUPAC name of ethyl N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]carbamate (CID 108573122) is ethyl N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]carbamate?
The canonical SMILES for ethyl N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]carbamate is CCOC(=O)NCCNC(=O)Cc1ccc(OCC)cc1.
What is the InChIKey of ethyl N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]carbamate?
The InChIKey is LKQSHRZFPZWQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-3-20-13-7-5-12(6-8-13)11-14(18)16-9-10-17-15(19)21-4-2/h5-8H,3-4,9-11H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of ethyl N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]carbamate?
ethyl N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]carbamate has a molecular weight of 294.35 g/mol, XLogP of 1.49, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]carbamate is sourced from PubChem (CID 108573122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).