4-[[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide

C22H28N4O4 — CID 54836454

IUPAC4-[[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
SMILESCCNC(=O)c1ccc(NC(=O)CNc2ccc(C(=O)NCCCOC)cc2)cc1
InChIInChI=1S/C22H28N4O4/c1-3-23-21(28)16-7-11-19(12-8-16)26-20(27)15-25-18-9-5-17(6-10-18)22(29)24-13-4-14-30-2/h5-12,25H,3-4,13-15H2,1-2H3,(H,23,28)(H,24,29)(H,26,27)
InChIKeyHWOFZWYMXTZJCQ-UHFFFAOYSA-N
MW412.49 g/mol
LogP2.25
Rot. Bonds11

About 4-[[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide

4-[[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide (PubChem CID 54836454) has the molecular formula C22H28N4O4 and a molecular weight of 412.49 g/mol. Its IUPAC name is 4-[[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide.

Molecular Properties

Compound Name4-[[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
PubChem CID54836454
Molecular FormulaC22H28N4O4
Molecular Weight412.49 g/mol
Exact Mass412.21
IUPAC Name4-[[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
SMILESCCNC(=O)c1ccc(NC(=O)CNc2ccc(C(=O)NCCCOC)cc2)cc1
InChIInChI=1S/C22H28N4O4/c1-3-23-21(28)16-7-11-19(12-8-16)26-20(27)15-25-18-9-5-17(6-10-18)22(29)24-13-4-14-30-2/h5-12,25H,3-4,13-15H2,1-2H3,(H,23,28)(H,24,29)(H,26,27)
InChIKeyHWOFZWYMXTZJCQ-UHFFFAOYSA-N
XLogP2.25
TPSA108.56 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 52.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-4-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54836394
N-(3-methoxypropyl)-4-[[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54836484
4-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54835601
N-ethyl-4-[[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54839505
4-[[2-(4-hexoxyanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54835385
4-[[2-[3-(butanoylamino)anilino]acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54830495
N-(3-methoxypropyl)-4-[[2-(3-methoxypropylamino)acetyl]amino]benzamide
CID 54828874
N-butyl-4-[[2-[4-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54832366
N,N'-bis[4-(3-methoxypropylcarbamoyl)phenyl]pentanediamide
CID 17205407
4-(ethylamino)-N-(3-methoxypropyl)benzamide
CID 62167523
4-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836640
N-(3-methoxypropyl)-4-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54834129

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide?
The IUPAC name of 4-[[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide (CID 54836454) is 4-[[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide.
What is the SMILES notation for 4-[[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide?
The canonical SMILES for 4-[[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide is CCNC(=O)c1ccc(NC(=O)CNc2ccc(C(=O)NCCCOC)cc2)cc1.
What is the InChIKey of 4-[[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide?
The InChIKey is HWOFZWYMXTZJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4/c1-3-23-21(28)16-7-11-19(12-8-16)26-20(27)15-25-18-9-5-17(6-10-18)22(29)24-13-4-14-30-2/h5-12,25H,3-4,13-15H2,1-2H3,(H,23,28)(H,24,29)(H,26,27).
What are the key properties of 4-[[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide?
4-[[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide has a molecular weight of 412.49 g/mol, XLogP of 2.25, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide is sourced from PubChem (CID 54836454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).