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

C16H24N2O3 — CID 108573115

IUPACN-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]butanamide
SMILESCCCC(=O)NCCNC(=O)Cc1ccc(OCC)cc1
InChIInChI=1S/C16H24N2O3/c1-3-5-15(19)17-10-11-18-16(20)12-13-6-8-14(9-7-13)21-4-2/h6-9H,3-5,10-12H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyYKJQIWDNOLWXEL-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.66
Rot. Bonds9

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

N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]butanamide (PubChem CID 108573115) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]butanamide.

Molecular Properties

Compound NameN-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]butanamide
PubChem CID108573115
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]butanamide
SMILESCCCC(=O)NCCNC(=O)Cc1ccc(OCC)cc1
InChIInChI=1S/C16H24N2O3/c1-3-5-15(19)17-10-11-18-16(20)12-13-6-8-14(9-7-13)21-4-2/h6-9H,3-5,10-12H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyYKJQIWDNOLWXEL-UHFFFAOYSA-N
XLogP1.66
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]carbamate
CID 108573122
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
N-[2-(2-aminoethoxy)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 82354234
N-[2-(4-ethoxyphenyl)ethyl]-3-sulfanylpropanamide
CID 115168009
2-(4-ethoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 17172905
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-[(4-ethoxyphenyl)methyl]-3-sulfanylpropanamide
CID 115167842
4-(4-ethoxyphenoxy)-N-[2-(methylamino)ethyl]butanamide
CID 119500483

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]butanamide?
The IUPAC name of N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]butanamide (CID 108573115) is N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]butanamide.
What is the SMILES notation for N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]butanamide?
The canonical SMILES for N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]butanamide is CCCC(=O)NCCNC(=O)Cc1ccc(OCC)cc1.
What is the InChIKey of N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]butanamide?
The InChIKey is YKJQIWDNOLWXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-5-15(19)17-10-11-18-16(20)12-13-6-8-14(9-7-13)21-4-2/h6-9H,3-5,10-12H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]butanamide?
N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]butanamide has a molecular weight of 292.38 g/mol, XLogP of 1.66, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]butanamide is sourced from PubChem (CID 108573115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).