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

C22H29N3O5 — CID 54827524

IUPAC3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide
SMILESCCOCCOc1cccc(NCC(=O)Nc2cccc(C(=O)NCCOC)c2)c1
InChIInChI=1S/C22H29N3O5/c1-3-29-12-13-30-20-9-5-7-18(15-20)24-16-21(26)25-19-8-4-6-17(14-19)22(27)23-10-11-28-2/h4-9,14-15,24H,3,10-13,16H2,1-2H3,(H,23,27)(H,25,26)
InChIKeyMODQMIQHBONXCM-UHFFFAOYSA-N
MW415.49 g/mol
LogP2.53
Rot. Bonds13

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

3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide (PubChem CID 54827524) has the molecular formula C22H29N3O5 and a molecular weight of 415.49 g/mol. Its IUPAC name is 3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide
PubChem CID54827524
Molecular FormulaC22H29N3O5
Molecular Weight415.49 g/mol
Exact Mass415.21
IUPAC Name3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide
SMILESCCOCCOc1cccc(NCC(=O)Nc2cccc(C(=O)NCCOC)c2)c1
InChIInChI=1S/C22H29N3O5/c1-3-29-12-13-30-20-9-5-7-18(15-20)24-16-21(26)25-19-8-4-6-17(14-19)22(27)23-10-11-28-2/h4-9,14-15,24H,3,10-13,16H2,1-2H3,(H,23,27)(H,25,26)
InChIKeyMODQMIQHBONXCM-UHFFFAOYSA-N
XLogP2.53
TPSA97.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-3-[[2-[3-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54834312
3-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54842538
N-benzyl-3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]benzamide
CID 54827557
N-(2-methoxyethyl)-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide
CID 54836267
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
3-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]-N-propylbenzamide
CID 54838865
N-(2-methoxyethyl)-3-[[2-oxo-2-[3-(3-phenylpropoxy)anilino]ethyl]amino]benzamide
CID 54836169
3-[[3-(2-ethoxyethoxy)benzoyl]carbamothioylamino]-N-(2-methoxyethyl)benzamide
CID 17219346
N-butyl-3-[[2-oxo-2-[3-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide
CID 54834119
2-[3-(2-ethoxyethoxy)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54827581
N-(2-methoxyethyl)-4-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]benzamide
CID 54836110

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide?
The IUPAC name of 3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide (CID 54827524) is 3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide is CCOCCOc1cccc(NCC(=O)Nc2cccc(C(=O)NCCOC)c2)c1.
What is the InChIKey of 3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide?
The InChIKey is MODQMIQHBONXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5/c1-3-29-12-13-30-20-9-5-7-18(15-20)24-16-21(26)25-19-8-4-6-17(14-19)22(27)23-10-11-28-2/h4-9,14-15,24H,3,10-13,16H2,1-2H3,(H,23,27)(H,25,26).
What are the key properties of 3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide?
3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide has a molecular weight of 415.49 g/mol, XLogP of 2.53, 13 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 54827524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).