N-[2-[[2-(2-ethylphenoxy)acetyl]amino]ethyl]-3-methylbutanamide

C17H26N2O3 — CID 108538543

IUPACN-[2-[[2-(2-ethylphenoxy)acetyl]amino]ethyl]-3-methylbutanamide
SMILESCCc1ccccc1OCC(=O)NCCNC(=O)CC(C)C
InChIInChI=1S/C17H26N2O3/c1-4-14-7-5-6-8-15(14)22-12-17(21)19-10-9-18-16(20)11-13(2)3/h5-8,13H,4,9-12H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyYCZIDDYPXKURBG-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.91
Rot. Bonds9

About N-[2-[[2-(2-ethylphenoxy)acetyl]amino]ethyl]-3-methylbutanamide

N-[2-[[2-(2-ethylphenoxy)acetyl]amino]ethyl]-3-methylbutanamide (PubChem CID 108538543) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[2-[[2-(2-ethylphenoxy)acetyl]amino]ethyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-[[2-(2-ethylphenoxy)acetyl]amino]ethyl]-3-methylbutanamide
PubChem CID108538543
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-[2-[[2-(2-ethylphenoxy)acetyl]amino]ethyl]-3-methylbutanamide
SMILESCCc1ccccc1OCC(=O)NCCNC(=O)CC(C)C
InChIInChI=1S/C17H26N2O3/c1-4-14-7-5-6-8-15(14)22-12-17(21)19-10-9-18-16(20)11-13(2)3/h5-8,13H,4,9-12H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyYCZIDDYPXKURBG-UHFFFAOYSA-N
XLogP1.91
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.91
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

2-chloro-N-[2-[[2-(2-ethylphenoxy)acetyl]amino]ethyl]propanamide
CID 108574553
2-(2-ethylphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 44669949
N-[(2R)-2-(ethylamino)propyl]-2-(2-ethylphenoxy)acetamide;hydrochloride
CID 120653148
N'-(2-chloroacetyl)-2-(2-ethylphenoxy)acetohydrazide
CID 166414704
2-(2-ethylphenoxy)-N-[(2-methoxyphenyl)methyl]acetamide
CID 2709267
2-[2-[2-(2-acetamidoethylamino)-2-oxoethoxy]phenyl]acetic acid
CID 80723765
2-(2-ethylphenoxy)-N-[2-[(4-ethylphenyl)sulfonylamino]ethyl]acetamide
CID 108574520
2,5-dichloro-N-[2-[[2-(2-ethylphenoxy)acetyl]amino]ethyl]benzamide
CID 108542215
2-[2-(methylaminomethyl)phenoxy]-N-propylacetamide
CID 43277187
N-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-3-methylbutanamide
CID 112993457
N-(2-acetamidoethyl)-2-[2-(methylaminomethyl)phenoxy]acetamide
CID 106484641
2-(2-ethylphenoxy)-N-(2-hydroxy-3-phenylpropyl)acetamide
CID 111102472

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(2-ethylphenoxy)acetyl]amino]ethyl]-3-methylbutanamide?
The IUPAC name of N-[2-[[2-(2-ethylphenoxy)acetyl]amino]ethyl]-3-methylbutanamide (CID 108538543) is N-[2-[[2-(2-ethylphenoxy)acetyl]amino]ethyl]-3-methylbutanamide.
What is the SMILES notation for N-[2-[[2-(2-ethylphenoxy)acetyl]amino]ethyl]-3-methylbutanamide?
The canonical SMILES for N-[2-[[2-(2-ethylphenoxy)acetyl]amino]ethyl]-3-methylbutanamide is CCc1ccccc1OCC(=O)NCCNC(=O)CC(C)C.
What is the InChIKey of N-[2-[[2-(2-ethylphenoxy)acetyl]amino]ethyl]-3-methylbutanamide?
The InChIKey is YCZIDDYPXKURBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-4-14-7-5-6-8-15(14)22-12-17(21)19-10-9-18-16(20)11-13(2)3/h5-8,13H,4,9-12H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of N-[2-[[2-(2-ethylphenoxy)acetyl]amino]ethyl]-3-methylbutanamide?
N-[2-[[2-(2-ethylphenoxy)acetyl]amino]ethyl]-3-methylbutanamide has a molecular weight of 306.41 g/mol, XLogP of 1.91, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(2-ethylphenoxy)acetyl]amino]ethyl]-3-methylbutanamide is sourced from PubChem (CID 108538543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).