3-[[2-[2-(2-ethoxyethoxy)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide

C27H31N3O4 — CID 54827700

IUPAC3-[[2-[2-(2-ethoxyethoxy)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
SMILESCCOCCOc1ccccc1NCC(=O)Nc1cccc(C(=O)NC(C)c2ccccc2)c1
InChIInChI=1S/C27H31N3O4/c1-3-33-16-17-34-25-15-8-7-14-24(25)28-19-26(31)30-23-13-9-12-22(18-23)27(32)29-20(2)21-10-5-4-6-11-21/h4-15,18,20,28H,3,16-17,19H2,1-2H3,(H,29,32)(H,30,31)
InChIKeyQYAZENKFZKHUQQ-UHFFFAOYSA-N
MW461.56 g/mol
LogP4.64
Rot. Bonds12

About 3-[[2-[2-(2-ethoxyethoxy)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide

3-[[2-[2-(2-ethoxyethoxy)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide (PubChem CID 54827700) has the molecular formula C27H31N3O4 and a molecular weight of 461.56 g/mol. Its IUPAC name is 3-[[2-[2-(2-ethoxyethoxy)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name3-[[2-[2-(2-ethoxyethoxy)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
PubChem CID54827700
Molecular FormulaC27H31N3O4
Molecular Weight461.56 g/mol
Exact Mass461.23
IUPAC Name3-[[2-[2-(2-ethoxyethoxy)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
SMILESCCOCCOc1ccccc1NCC(=O)Nc1cccc(C(=O)NC(C)c2ccccc2)c1
InChIInChI=1S/C27H31N3O4/c1-3-33-16-17-34-25-15-8-7-14-24(25)28-19-26(31)30-23-13-9-12-22(18-23)27(32)29-20(2)21-10-5-4-6-11-21/h4-15,18,20,28H,3,16-17,19H2,1-2H3,(H,29,32)(H,30,31)
InChIKeyQYAZENKFZKHUQQ-UHFFFAOYSA-N
XLogP4.64
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.56
LogP ≤ 54.64
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

3-[[2-[2-(2-methylprop-2-enoxy)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54825993
3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54829445
3-[[2-[2-(2-ethoxyethoxy)anilino]acetyl]amino]-N,N-dipropylbenzamide
CID 54827668
3-[[2-[2-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-ethylbenzamide
CID 54837835
3-[[2-(4-ethoxyanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54842146
3-[[2-(2-phenylmethoxyanilino)acetyl]amino]-N-propan-2-ylbenzamide
CID 54827989
N-(1-phenylethyl)-3-(propanoylamino)benzamide
CID 17309569
N-ethyl-3-[[2-oxo-2-[3-(1-phenylethylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54837990
3-[[2-[3-(1-phenylethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54842211
3-[[2-(2,4-dichloroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54810893
1-N-(2-ethoxyphenyl)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 109054483
N-propan-2-yl-3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide
CID 54824529

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[2-(2-ethoxyethoxy)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide?
The IUPAC name of 3-[[2-[2-(2-ethoxyethoxy)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide (CID 54827700) is 3-[[2-[2-(2-ethoxyethoxy)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 3-[[2-[2-(2-ethoxyethoxy)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 3-[[2-[2-(2-ethoxyethoxy)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide is CCOCCOc1ccccc1NCC(=O)Nc1cccc(C(=O)NC(C)c2ccccc2)c1.
What is the InChIKey of 3-[[2-[2-(2-ethoxyethoxy)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide?
The InChIKey is QYAZENKFZKHUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O4/c1-3-33-16-17-34-25-15-8-7-14-24(25)28-19-26(31)30-23-13-9-12-22(18-23)27(32)29-20(2)21-10-5-4-6-11-21/h4-15,18,20,28H,3,16-17,19H2,1-2H3,(H,29,32)(H,30,31).
What are the key properties of 3-[[2-[2-(2-ethoxyethoxy)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide?
3-[[2-[2-(2-ethoxyethoxy)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide has a molecular weight of 461.56 g/mol, XLogP of 4.64, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[2-(2-ethoxyethoxy)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 54827700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).