N-[4-(2-(113C)ethoxyethoxy)phenyl]acetamide

C12H17NO3 — CID 54301804

IUPACN-[4-(2-(113C)ethoxyethoxy)phenyl]acetamide
SMILESC[13CH2]OCCOc1ccc(NC(C)=O)cc1
InChIInChI=1S/C12H17NO3/c1-3-15-8-9-16-12-6-4-11(5-7-12)13-10(2)14/h4-7H,3,8-9H2,1-2H3,(H,13,14)/i3+1
InChIKeySESWDHMOAPDFFV-LBPDFUHNSA-N
MW224.26 g/mol
LogP2.06
Rot. Bonds6

About N-[4-(2-(113C)ethoxyethoxy)phenyl]acetamide

N-[4-(2-(113C)ethoxyethoxy)phenyl]acetamide (PubChem CID 54301804) has the molecular formula C12H17NO3 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-[4-(2-(113C)ethoxyethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-(113C)ethoxyethoxy)phenyl]acetamide
PubChem CID54301804
Molecular FormulaC12H17NO3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC NameN-[4-(2-(113C)ethoxyethoxy)phenyl]acetamide
SMILESC[13CH2]OCCOc1ccc(NC(C)=O)cc1
InChIInChI=1S/C12H17NO3/c1-3-15-8-9-16-12-6-4-11(5-7-12)13-10(2)14/h4-7H,3,8-9H2,1-2H3,(H,13,14)/i3+1
InChIKeySESWDHMOAPDFFV-LBPDFUHNSA-N
XLogP2.06
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-ethoxyethoxy)-N-[4-[[4-(2-ethoxyethoxy)benzoyl]amino]phenyl]benzamide
CID 17113406
2-bromo-N-[4-(2-ethoxyethoxy)phenyl]-2-methylpropanamide
CID 100691237
N-(4-benzamidophenyl)-4-(2-ethoxyethoxy)benzamide
CID 17235471
N-(4-acetamidophenyl)-3-(2-ethoxyethoxy)benzamide
CID 17139517
N-[4-(2-ethoxyethoxy)phenyl]-2-(4-methoxyphenoxy)propanamide
CID 17130597
N-(3-acetamidophenyl)-2-[4-(2-ethoxyethoxy)anilino]acetamide
CID 54825386
N-[4-(4-pentoxybutoxy)phenyl]acetamide
CID 142679131
N-[4-(2-ethoxyethoxy)phenyl]-2-(propan-2-ylamino)acetamide
CID 54817765
2-[4-(2-ethoxyethoxy)phenoxy]-N-(4-fluorophenyl)acetamide
CID 4732952
N-[4-(2-ethoxyethoxy)phenyl]-4-propan-2-yloxybenzamide
CID 17130636
2-(4-butoxyanilino)-N-[4-(2-ethoxyethoxy)phenyl]acetamide
CID 54820258
N-[4-(3-chloropropoxy)phenyl]acetamide
CID 5147668

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-(113C)ethoxyethoxy)phenyl]acetamide?
The IUPAC name of N-[4-(2-(113C)ethoxyethoxy)phenyl]acetamide (CID 54301804) is N-[4-(2-(113C)ethoxyethoxy)phenyl]acetamide.
What is the SMILES notation for N-[4-(2-(113C)ethoxyethoxy)phenyl]acetamide?
The canonical SMILES for N-[4-(2-(113C)ethoxyethoxy)phenyl]acetamide is C[13CH2]OCCOc1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-(2-(113C)ethoxyethoxy)phenyl]acetamide?
The InChIKey is SESWDHMOAPDFFV-LBPDFUHNSA-N. The full InChI is InChI=1S/C12H17NO3/c1-3-15-8-9-16-12-6-4-11(5-7-12)13-10(2)14/h4-7H,3,8-9H2,1-2H3,(H,13,14)/i3+1.
What are the key properties of N-[4-(2-(113C)ethoxyethoxy)phenyl]acetamide?
N-[4-(2-(113C)ethoxyethoxy)phenyl]acetamide has a molecular weight of 224.26 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-(113C)ethoxyethoxy)phenyl]acetamide is sourced from PubChem (CID 54301804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).