4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide

C22H29N3O4 — CID 54836079

IUPAC4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
SMILESCCCCOc1cccc(NC(=O)CNc2ccc(C(=O)NCCOC)cc2)c1
InChIInChI=1S/C22H29N3O4/c1-3-4-13-29-20-7-5-6-19(15-20)25-21(26)16-24-18-10-8-17(9-11-18)22(27)23-12-14-28-2/h5-11,15,24H,3-4,12-14,16H2,1-2H3,(H,23,27)(H,25,26)
InChIKeyIWEWHBSZOJCDDQ-UHFFFAOYSA-N
MW399.49 g/mol
LogP3.29
Rot. Bonds12

About 4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide

4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide (PubChem CID 54836079) has the molecular formula C22H29N3O4 and a molecular weight of 399.49 g/mol. Its IUPAC name is 4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
PubChem CID54836079
Molecular FormulaC22H29N3O4
Molecular Weight399.49 g/mol
Exact Mass399.22
IUPAC Name4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
SMILESCCCCOc1cccc(NC(=O)CNc2ccc(C(=O)NCCOC)cc2)c1
InChIInChI=1S/C22H29N3O4/c1-3-4-13-29-20-7-5-6-19(15-20)25-21(26)16-24-18-10-8-17(9-11-18)22(27)23-12-14-28-2/h5-11,15,24H,3-4,12-14,16H2,1-2H3,(H,23,27)(H,25,26)
InChIKeyIWEWHBSZOJCDDQ-UHFFFAOYSA-N
XLogP3.29
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 53.29
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)-4-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]benzamide
CID 54836110
4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]-N-butylbenzamide
CID 54832168
3-[[2-(3-butoxyanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54825060
N-(2-methoxyethyl)-4-[[2-(4-propoxyanilino)acetyl]amino]benzamide
CID 54822703
N-butyl-4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54832134
N-[3-(2-methoxyethoxy)phenyl]-2-(4-propoxyanilino)acetamide
CID 54820051
2-(4-butoxyanilino)-N-(3-propoxyphenyl)acetamide
CID 54820125
N-(3-butoxyphenyl)-2-(4-heptoxyanilino)acetamide
CID 54821837
3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 54827524
N-(3-heptoxyphenyl)-2-(4-methoxyanilino)acetamide
CID 54812359
N-(3-hexoxyphenyl)-2-(4-methoxyanilino)acetamide
CID 54812522
3-[[2-(4-heptoxyanilino)acetyl]amino]-N-propylbenzamide
CID 54821404

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide?
The IUPAC name of 4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide (CID 54836079) is 4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide is CCCCOc1cccc(NC(=O)CNc2ccc(C(=O)NCCOC)cc2)c1.
What is the InChIKey of 4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide?
The InChIKey is IWEWHBSZOJCDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4/c1-3-4-13-29-20-7-5-6-19(15-20)25-21(26)16-24-18-10-8-17(9-11-18)22(27)23-12-14-28-2/h5-11,15,24H,3-4,12-14,16H2,1-2H3,(H,23,27)(H,25,26).
What are the key properties of 4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide?
4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide has a molecular weight of 399.49 g/mol, XLogP of 3.29, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 54836079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).