N-(3-butanoyl-2-ethylphenyl)-2-(2-butoxyethoxy)acetamide

C20H31NO4 — CID 171498043

IUPACN-(3-butanoyl-2-ethylphenyl)-2-(2-butoxyethoxy)acetamide
SMILESCCCCOCCOCC(=O)Nc1cccc(C(=O)CCC)c1CC
InChIInChI=1S/C20H31NO4/c1-4-7-12-24-13-14-25-15-20(23)21-18-11-8-10-17(16(18)6-3)19(22)9-5-2/h8,10-11H,4-7,9,12-15H2,1-3H3,(H,21,23)
InChIKeyROWQVWOBIMANKY-UHFFFAOYSA-N
MW349.47 g/mol
LogP4.00
Rot. Bonds13

About N-(3-butanoyl-2-ethylphenyl)-2-(2-butoxyethoxy)acetamide

N-(3-butanoyl-2-ethylphenyl)-2-(2-butoxyethoxy)acetamide (PubChem CID 171498043) has the molecular formula C20H31NO4 and a molecular weight of 349.47 g/mol. Its IUPAC name is N-(3-butanoyl-2-ethylphenyl)-2-(2-butoxyethoxy)acetamide.

Molecular Properties

Compound NameN-(3-butanoyl-2-ethylphenyl)-2-(2-butoxyethoxy)acetamide
PubChem CID171498043
Molecular FormulaC20H31NO4
Molecular Weight349.47 g/mol
Exact Mass349.23
IUPAC NameN-(3-butanoyl-2-ethylphenyl)-2-(2-butoxyethoxy)acetamide
SMILESCCCCOCCOCC(=O)Nc1cccc(C(=O)CCC)c1CC
InChIInChI=1S/C20H31NO4/c1-4-7-12-24-13-14-25-15-20(23)21-18-11-8-10-17(16(18)6-3)19(22)9-5-2/h8,10-11H,4-7,9,12-15H2,1-3H3,(H,21,23)
InChIKeyROWQVWOBIMANKY-UHFFFAOYSA-N
XLogP4.00
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-butoxyethoxy)-1-(2-methylphenyl)ethanone
CID 43800169
N-(2-carbamothioylphenyl)-2-(2-propoxyethoxy)acetamide
CID 63685097
2-hydroxy-3-[(2-propoxyacetyl)amino]benzoic acid
CID 114018262
N-(5-hydroxynaphthalen-1-yl)-2-propoxyacetamide
CID 107941689
N-(4-amino-2-bromophenyl)-2-(2-butoxyethoxy)acetamide
CID 43376800
1-[2-ethyl-3-[3-[2-(2-oxopropoxy)ethoxy]prop-1-ynyl]phenyl]butan-1-one
CID 171498134
2-(2-butoxyethoxy)-N-(2,6-dimethoxy-3-pyridinyl)acetamide
CID 5224256
N-(2-butyl-3-ethylphenyl)butanamide
CID 71106739
methyl 2-hydroxy-3-[[2-(2-methoxyethoxy)acetyl]amino]benzoate
CID 108745791
2-[4-[(2-butoxyacetyl)amino]naphthalen-1-yl]oxyacetic acid
CID 119219236
2-(2-butoxyethoxy)-1-phenylethanone
CID 43800199
2-(2-butoxyethoxy)-1-(2,6-difluorophenyl)ethanone
CID 43800204

Frequently Asked Questions

What is the IUPAC name of N-(3-butanoyl-2-ethylphenyl)-2-(2-butoxyethoxy)acetamide?
The IUPAC name of N-(3-butanoyl-2-ethylphenyl)-2-(2-butoxyethoxy)acetamide (CID 171498043) is N-(3-butanoyl-2-ethylphenyl)-2-(2-butoxyethoxy)acetamide.
What is the SMILES notation for N-(3-butanoyl-2-ethylphenyl)-2-(2-butoxyethoxy)acetamide?
The canonical SMILES for N-(3-butanoyl-2-ethylphenyl)-2-(2-butoxyethoxy)acetamide is CCCCOCCOCC(=O)Nc1cccc(C(=O)CCC)c1CC.
What is the InChIKey of N-(3-butanoyl-2-ethylphenyl)-2-(2-butoxyethoxy)acetamide?
The InChIKey is ROWQVWOBIMANKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO4/c1-4-7-12-24-13-14-25-15-20(23)21-18-11-8-10-17(16(18)6-3)19(22)9-5-2/h8,10-11H,4-7,9,12-15H2,1-3H3,(H,21,23).
What are the key properties of N-(3-butanoyl-2-ethylphenyl)-2-(2-butoxyethoxy)acetamide?
N-(3-butanoyl-2-ethylphenyl)-2-(2-butoxyethoxy)acetamide has a molecular weight of 349.47 g/mol, XLogP of 4.00, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butanoyl-2-ethylphenyl)-2-(2-butoxyethoxy)acetamide is sourced from PubChem (CID 171498043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).