N-[4-[2-(butylamino)-2-oxoethoxy]phenyl]-2-methoxybenzamide

C20H24N2O4 — CID 9401212

IUPACN-[4-[2-(butylamino)-2-oxoethoxy]phenyl]-2-methoxybenzamide
SMILESCCCCNC(=O)COc1ccc(NC(=O)c2ccccc2OC)cc1
InChIInChI=1S/C20H24N2O4/c1-3-4-13-21-19(23)14-26-16-11-9-15(10-12-16)22-20(24)17-7-5-6-8-18(17)25-2/h5-12H,3-4,13-14H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyKXKZXWAEEOUQMJ-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.24
Rot. Bonds9

About N-[4-[2-(butylamino)-2-oxoethoxy]phenyl]-2-methoxybenzamide

N-[4-[2-(butylamino)-2-oxoethoxy]phenyl]-2-methoxybenzamide (PubChem CID 9401212) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is N-[4-[2-(butylamino)-2-oxoethoxy]phenyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[4-[2-(butylamino)-2-oxoethoxy]phenyl]-2-methoxybenzamide
PubChem CID9401212
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC NameN-[4-[2-(butylamino)-2-oxoethoxy]phenyl]-2-methoxybenzamide
SMILESCCCCNC(=O)COc1ccc(NC(=O)c2ccccc2OC)cc1
InChIInChI=1S/C20H24N2O4/c1-3-4-13-21-19(23)14-26-16-11-9-15(10-12-16)22-20(24)17-7-5-6-8-18(17)25-2/h5-12H,3-4,13-14H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyKXKZXWAEEOUQMJ-UHFFFAOYSA-N
XLogP3.24
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(butylcarbamoyl)phenyl]-2-methoxybenzamide
CID 17195196
N-[4-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]-2-methoxybenzamide
CID 18227530
N-[4-[2-[[(2R)-butan-2-yl]amino]-2-oxoethoxy]phenyl]-2-methoxybenzamide
CID 9318169
2-methoxy-N-[4-[2-(3-methoxyanilino)-2-oxoethoxy]phenyl]benzamide
CID 18224632
N-[4-(4-ethoxyphenoxy)phenyl]-2-methoxybenzamide
CID 7925290
2-methoxy-N-[4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethoxy]phenyl]benzamide
CID 9114687
2-methoxy-N-[4-(3-phenylpropoxy)phenyl]benzamide
CID 17130159
2-butoxy-N-(4-propoxyphenyl)benzamide
CID 4943156
N-[6-(butylamino)-3-pyridinyl]-2-methoxybenzamide
CID 113009462
N-[4-(2-ethoxyethoxy)phenyl]-2-methoxybenzamide
CID 17130584
N-butyl-2-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide
CID 17149354
2-butoxy-N-(4-methylphenyl)benzamide
CID 4940933

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(butylamino)-2-oxoethoxy]phenyl]-2-methoxybenzamide?
The IUPAC name of N-[4-[2-(butylamino)-2-oxoethoxy]phenyl]-2-methoxybenzamide (CID 9401212) is N-[4-[2-(butylamino)-2-oxoethoxy]phenyl]-2-methoxybenzamide.
What is the SMILES notation for N-[4-[2-(butylamino)-2-oxoethoxy]phenyl]-2-methoxybenzamide?
The canonical SMILES for N-[4-[2-(butylamino)-2-oxoethoxy]phenyl]-2-methoxybenzamide is CCCCNC(=O)COc1ccc(NC(=O)c2ccccc2OC)cc1.
What is the InChIKey of N-[4-[2-(butylamino)-2-oxoethoxy]phenyl]-2-methoxybenzamide?
The InChIKey is KXKZXWAEEOUQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-3-4-13-21-19(23)14-26-16-11-9-15(10-12-16)22-20(24)17-7-5-6-8-18(17)25-2/h5-12H,3-4,13-14H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-[4-[2-(butylamino)-2-oxoethoxy]phenyl]-2-methoxybenzamide?
N-[4-[2-(butylamino)-2-oxoethoxy]phenyl]-2-methoxybenzamide has a molecular weight of 356.42 g/mol, XLogP of 3.24, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(butylamino)-2-oxoethoxy]phenyl]-2-methoxybenzamide is sourced from PubChem (CID 9401212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).