N-(2-methoxyethyl)-3-[[2-oxo-2-[3-(3-phenylpropoxy)anilino]ethyl]amino]benzamide

C27H31N3O4 — CID 54836169

IUPACN-(2-methoxyethyl)-3-[[2-oxo-2-[3-(3-phenylpropoxy)anilino]ethyl]amino]benzamide
SMILESCOCCNC(=O)c1cccc(NCC(=O)Nc2cccc(OCCCc3ccccc3)c2)c1
InChIInChI=1S/C27H31N3O4/c1-33-17-15-28-27(32)22-11-5-12-23(18-22)29-20-26(31)30-24-13-6-14-25(19-24)34-16-7-10-21-8-3-2-4-9-21/h2-6,8-9,11-14,18-19,29H,7,10,15-17,20H2,1H3,(H,28,32)(H,30,31)
InChIKeyLCJHGBBYTXBIEO-UHFFFAOYSA-N
MW461.56 g/mol
LogP4.12
Rot. Bonds13

About N-(2-methoxyethyl)-3-[[2-oxo-2-[3-(3-phenylpropoxy)anilino]ethyl]amino]benzamide

N-(2-methoxyethyl)-3-[[2-oxo-2-[3-(3-phenylpropoxy)anilino]ethyl]amino]benzamide (PubChem CID 54836169) has the molecular formula C27H31N3O4 and a molecular weight of 461.56 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[[2-oxo-2-[3-(3-phenylpropoxy)anilino]ethyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[[2-oxo-2-[3-(3-phenylpropoxy)anilino]ethyl]amino]benzamide
PubChem CID54836169
Molecular FormulaC27H31N3O4
Molecular Weight461.56 g/mol
Exact Mass461.23
IUPAC NameN-(2-methoxyethyl)-3-[[2-oxo-2-[3-(3-phenylpropoxy)anilino]ethyl]amino]benzamide
SMILESCOCCNC(=O)c1cccc(NCC(=O)Nc2cccc(OCCCc3ccccc3)c2)c1
InChIInChI=1S/C27H31N3O4/c1-33-17-15-28-27(32)22-11-5-12-23(18-22)29-20-26(31)30-24-13-6-14-25(19-24)34-16-7-10-21-8-3-2-4-9-21/h2-6,8-9,11-14,18-19,29H,7,10,15-17,20H2,1H3,(H,28,32)(H,30,31)
InChIKeyLCJHGBBYTXBIEO-UHFFFAOYSA-N
XLogP4.12
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.56
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide
CID 54836267
3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 54827524
N-(2-methoxyethyl)-3-[[2-(3-prop-2-enoxyanilino)acetyl]amino]benzamide
CID 54826584
3-[[2-(3-butoxyanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54825060
N-butyl-3-[[2-oxo-2-[3-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide
CID 54834119
N-methyl-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide
CID 54839558
2-(3-methylanilino)-N-[3-(3-phenylpropoxy)phenyl]acetamide
CID 54810854
N-(3-methoxypropyl)-3-[[2-[3-(3-phenylpropanoylamino)anilino]acetyl]amino]benzamide
CID 54837559
N-tert-butyl-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide
CID 54844265
methyl 4-[[2-[3-(3-phenylpropoxy)anilino]acetyl]amino]benzoate
CID 54828126
N-benzyl-3-[[2-(3-heptoxyanilino)-2-oxoethyl]amino]benzamide
CID 54842997
N-(3-hexoxyphenyl)-2-[3-(3-phenylpropoxy)anilino]acetamide
CID 54827901

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-[[2-oxo-2-[3-(3-phenylpropoxy)anilino]ethyl]amino]benzamide?
The IUPAC name of N-(2-methoxyethyl)-3-[[2-oxo-2-[3-(3-phenylpropoxy)anilino]ethyl]amino]benzamide (CID 54836169) is N-(2-methoxyethyl)-3-[[2-oxo-2-[3-(3-phenylpropoxy)anilino]ethyl]amino]benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-[[2-oxo-2-[3-(3-phenylpropoxy)anilino]ethyl]amino]benzamide?
The canonical SMILES for N-(2-methoxyethyl)-3-[[2-oxo-2-[3-(3-phenylpropoxy)anilino]ethyl]amino]benzamide is COCCNC(=O)c1cccc(NCC(=O)Nc2cccc(OCCCc3ccccc3)c2)c1.
What is the InChIKey of N-(2-methoxyethyl)-3-[[2-oxo-2-[3-(3-phenylpropoxy)anilino]ethyl]amino]benzamide?
The InChIKey is LCJHGBBYTXBIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O4/c1-33-17-15-28-27(32)22-11-5-12-23(18-22)29-20-26(31)30-24-13-6-14-25(19-24)34-16-7-10-21-8-3-2-4-9-21/h2-6,8-9,11-14,18-19,29H,7,10,15-17,20H2,1H3,(H,28,32)(H,30,31).
What are the key properties of N-(2-methoxyethyl)-3-[[2-oxo-2-[3-(3-phenylpropoxy)anilino]ethyl]amino]benzamide?
N-(2-methoxyethyl)-3-[[2-oxo-2-[3-(3-phenylpropoxy)anilino]ethyl]amino]benzamide has a molecular weight of 461.56 g/mol, XLogP of 4.12, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[[2-oxo-2-[3-(3-phenylpropoxy)anilino]ethyl]amino]benzamide is sourced from PubChem (CID 54836169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).