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

C19H23NO3 — CID 17137407

IUPACN-butan-2-yl-4-(2-phenoxyethoxy)benzamide
SMILESCCC(C)NC(=O)c1ccc(OCCOc2ccccc2)cc1
InChIInChI=1S/C19H23NO3/c1-3-15(2)20-19(21)16-9-11-18(12-10-16)23-14-13-22-17-7-5-4-6-8-17/h4-12,15H,3,13-14H2,1-2H3,(H,20,21)
InChIKeyNZLKYZJYGMILEN-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.67
Rot. Bonds8

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

N-butan-2-yl-4-(2-phenoxyethoxy)benzamide (PubChem CID 17137407) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-butan-2-yl-4-(2-phenoxyethoxy)benzamide.

Molecular Properties

Compound NameN-butan-2-yl-4-(2-phenoxyethoxy)benzamide
PubChem CID17137407
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC NameN-butan-2-yl-4-(2-phenoxyethoxy)benzamide
SMILESCCC(C)NC(=O)c1ccc(OCCOc2ccccc2)cc1
InChIInChI=1S/C19H23NO3/c1-3-15(2)20-19(21)16-9-11-18(12-10-16)23-14-13-22-17-7-5-4-6-8-17/h4-12,15H,3,13-14H2,1-2H3,(H,20,21)
InChIKeyNZLKYZJYGMILEN-UHFFFAOYSA-N
XLogP3.67
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.67
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-methoxyethoxy)benzamide
CID 17137424
N-butan-2-yl-4-(3-methylbutoxy)benzamide
CID 17137403
4-(2-aminoethoxy)-N-butan-2-ylbenzamide
CID 112500864
N-[(2R)-butan-2-yl]-4-ethoxybenzamide
CID 721844
N-[(2S)-butan-2-yl]-4-(2-methylpropoxy)benzamide
CID 41370977
N-butan-2-yl-4-[[[N'-methyl-N-(2-phenoxyethyl)carbamimidoyl]amino]methyl]benzamide
CID 111005239
N-[(2S)-butan-2-yl]-4-propan-2-yloxybenzamide
CID 40772005
N-(1-hydroxypropan-2-yl)-4-propoxybenzamide
CID 43418970
N-butan-2-yl-4-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]benzamide
CID 54823938
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
N-[(2R)-butan-2-yl]-4-(phenylcarbamoylamino)benzamide
CID 42427532

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-(2-phenoxyethoxy)benzamide?
The IUPAC name of N-butan-2-yl-4-(2-phenoxyethoxy)benzamide (CID 17137407) is N-butan-2-yl-4-(2-phenoxyethoxy)benzamide.
What is the SMILES notation for N-butan-2-yl-4-(2-phenoxyethoxy)benzamide?
The canonical SMILES for N-butan-2-yl-4-(2-phenoxyethoxy)benzamide is CCC(C)NC(=O)c1ccc(OCCOc2ccccc2)cc1.
What is the InChIKey of N-butan-2-yl-4-(2-phenoxyethoxy)benzamide?
The InChIKey is NZLKYZJYGMILEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-3-15(2)20-19(21)16-9-11-18(12-10-16)23-14-13-22-17-7-5-4-6-8-17/h4-12,15H,3,13-14H2,1-2H3,(H,20,21).
What are the key properties of N-butan-2-yl-4-(2-phenoxyethoxy)benzamide?
N-butan-2-yl-4-(2-phenoxyethoxy)benzamide has a molecular weight of 313.40 g/mol, XLogP of 3.67, 8 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-phenoxyethoxy)benzamide is sourced from PubChem (CID 17137407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).