N-butan-2-yl-4-(2-methoxyethoxy)benzamide

C14H21NO3 — CID 17137424

IUPACN-butan-2-yl-4-(2-methoxyethoxy)benzamide
SMILESCCC(C)NC(=O)c1ccc(OCCOC)cc1
InChIInChI=1S/C14H21NO3/c1-4-11(2)15-14(16)12-5-7-13(8-6-12)18-10-9-17-3/h5-8,11H,4,9-10H2,1-3H3,(H,15,16)
InChIKeyPQQMHZAVJJACOI-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.24
Rot. Bonds7

About N-butan-2-yl-4-(2-methoxyethoxy)benzamide

N-butan-2-yl-4-(2-methoxyethoxy)benzamide (PubChem CID 17137424) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-butan-2-yl-4-(2-methoxyethoxy)benzamide.

Molecular Properties

Compound NameN-butan-2-yl-4-(2-methoxyethoxy)benzamide
PubChem CID17137424
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-butan-2-yl-4-(2-methoxyethoxy)benzamide
SMILESCCC(C)NC(=O)c1ccc(OCCOC)cc1
InChIInChI=1S/C14H21NO3/c1-4-11(2)15-14(16)12-5-7-13(8-6-12)18-10-9-17-3/h5-8,11H,4,9-10H2,1-3H3,(H,15,16)
InChIKeyPQQMHZAVJJACOI-UHFFFAOYSA-N
XLogP2.24
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.24
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

N-butan-2-yl-4-(2-phenoxyethoxy)benzamide
CID 17137407
4-(2-aminoethoxy)-N-butan-2-ylbenzamide
CID 112500864
N-butan-2-yl-4-(3-methylbutoxy)benzamide
CID 17137403
N-[(2R)-butan-2-yl]-4-ethoxybenzamide
CID 721844
N-[(2S)-butan-2-yl]-4-(2-methylpropoxy)benzamide
CID 41370977
N-[(2S)-butan-2-yl]-4-propan-2-yloxybenzamide
CID 40772005
1-butan-2-yl-3-[4-(2-methoxyethoxy)phenyl]urea
CID 47202620
N-(1-hydroxypropan-2-yl)-4-propoxybenzamide
CID 43418970
1-N,4-N-bis[(2R)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide
CID 25476067
N-[(2S)-butan-2-yl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 42427383
N-butan-2-yl-4-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
CID 17201290
N-butan-2-yl-4-[[2-[4-(2-ethoxyethoxy)anilino]acetyl]amino]benzamide
CID 54825625

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-(2-methoxyethoxy)benzamide?
The IUPAC name of N-butan-2-yl-4-(2-methoxyethoxy)benzamide (CID 17137424) is N-butan-2-yl-4-(2-methoxyethoxy)benzamide.
What is the SMILES notation for N-butan-2-yl-4-(2-methoxyethoxy)benzamide?
The canonical SMILES for N-butan-2-yl-4-(2-methoxyethoxy)benzamide is CCC(C)NC(=O)c1ccc(OCCOC)cc1.
What is the InChIKey of N-butan-2-yl-4-(2-methoxyethoxy)benzamide?
The InChIKey is PQQMHZAVJJACOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-4-11(2)15-14(16)12-5-7-13(8-6-12)18-10-9-17-3/h5-8,11H,4,9-10H2,1-3H3,(H,15,16).
What are the key properties of N-butan-2-yl-4-(2-methoxyethoxy)benzamide?
N-butan-2-yl-4-(2-methoxyethoxy)benzamide has a molecular weight of 251.33 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-(2-methoxyethoxy)benzamide is sourced from PubChem (CID 17137424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).