N-(2-methoxyethyl)-2-[4-(3-methylbutoxy)anilino]acetamide

C16H26N2O3 — CID 54821761

IUPACN-(2-methoxyethyl)-2-[4-(3-methylbutoxy)anilino]acetamide
SMILESCOCCNC(=O)CNc1ccc(OCCC(C)C)cc1
InChIInChI=1S/C16H26N2O3/c1-13(2)8-10-21-15-6-4-14(5-7-15)18-12-16(19)17-9-11-20-3/h4-7,13,18H,8-12H2,1-3H3,(H,17,19)
InChIKeyDVLDWLJNWLLKJB-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.29
Rot. Bonds10

About N-(2-methoxyethyl)-2-[4-(3-methylbutoxy)anilino]acetamide

N-(2-methoxyethyl)-2-[4-(3-methylbutoxy)anilino]acetamide (PubChem CID 54821761) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[4-(3-methylbutoxy)anilino]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[4-(3-methylbutoxy)anilino]acetamide
PubChem CID54821761
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC NameN-(2-methoxyethyl)-2-[4-(3-methylbutoxy)anilino]acetamide
SMILESCOCCNC(=O)CNc1ccc(OCCC(C)C)cc1
InChIInChI=1S/C16H26N2O3/c1-13(2)8-10-21-15-6-4-14(5-7-15)18-12-16(19)17-9-11-20-3/h4-7,13,18H,8-12H2,1-3H3,(H,17,19)
InChIKeyDVLDWLJNWLLKJB-UHFFFAOYSA-N
XLogP2.29
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethoxyanilino)-N-(3-methylbutyl)acetamide
CID 39364243
N-[4-(3-methylbutoxy)phenyl]-2-(4-propoxyanilino)acetamide
CID 54820417
2-(4-butoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 54820391
N-[4-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
CID 54830793
N-hexadecyl-2-[4-(2-methoxyethoxy)anilino]acetamide
CID 54822487
2-methyl-N-[4-[[2-[4-(3-methylbutoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide
CID 54830470
2-(4-chloroanilino)-N-(2-methoxyethyl)acetamide
CID 39347241
N-(2-methoxyethyl)-4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]benzamide
CID 54820174
2-[4-(2-methoxyethoxy)anilino]-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 54822490
2-(4-bromoanilino)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 109005350
N-(3,5-dichlorophenyl)-2-[4-(3-methylbutoxy)anilino]acetamide
CID 54821699
N-tert-butyl-4-[[2-[4-(3-methylbutoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54834708

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[4-(3-methylbutoxy)anilino]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[4-(3-methylbutoxy)anilino]acetamide (CID 54821761) is N-(2-methoxyethyl)-2-[4-(3-methylbutoxy)anilino]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[4-(3-methylbutoxy)anilino]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[4-(3-methylbutoxy)anilino]acetamide is COCCNC(=O)CNc1ccc(OCCC(C)C)cc1.
What is the InChIKey of N-(2-methoxyethyl)-2-[4-(3-methylbutoxy)anilino]acetamide?
The InChIKey is DVLDWLJNWLLKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-13(2)8-10-21-15-6-4-14(5-7-15)18-12-16(19)17-9-11-20-3/h4-7,13,18H,8-12H2,1-3H3,(H,17,19).
What are the key properties of N-(2-methoxyethyl)-2-[4-(3-methylbutoxy)anilino]acetamide?
N-(2-methoxyethyl)-2-[4-(3-methylbutoxy)anilino]acetamide has a molecular weight of 294.40 g/mol, XLogP of 2.29, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[4-(3-methylbutoxy)anilino]acetamide is sourced from PubChem (CID 54821761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).