N-(3-methoxypropyl)-3-[[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]amino]benzamide

C22H29N3O4 — CID 54842246

IUPACN-(3-methoxypropyl)-3-[[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]amino]benzamide
SMILESCOCCCNC(=O)c1cccc(NCC(=O)Nc2ccc(OC(C)C)cc2)c1
InChIInChI=1S/C22H29N3O4/c1-16(2)29-20-10-8-18(9-11-20)25-21(26)15-24-19-7-4-6-17(14-19)22(27)23-12-5-13-28-3/h4,6-11,14,16,24H,5,12-13,15H2,1-3H3,(H,23,27)(H,25,26)
InChIKeyQSFUSGYYICMMET-UHFFFAOYSA-N
MW399.49 g/mol
LogP3.29
Rot. Bonds11

About N-(3-methoxypropyl)-3-[[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]amino]benzamide

N-(3-methoxypropyl)-3-[[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]amino]benzamide (PubChem CID 54842246) has the molecular formula C22H29N3O4 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-(3-methoxypropyl)-3-[[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]amino]benzamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-3-[[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]amino]benzamide
PubChem CID54842246
Molecular FormulaC22H29N3O4
Molecular Weight399.49 g/mol
Exact Mass399.22
IUPAC NameN-(3-methoxypropyl)-3-[[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]amino]benzamide
SMILESCOCCCNC(=O)c1cccc(NCC(=O)Nc2ccc(OC(C)C)cc2)c1
InChIInChI=1S/C22H29N3O4/c1-16(2)29-20-10-8-18(9-11-20)25-21(26)15-24-19-7-4-6-17(14-19)22(27)23-12-5-13-28-3/h4,6-11,14,16,24H,5,12-13,15H2,1-3H3,(H,23,27)(H,25,26)
InChIKeyQSFUSGYYICMMET-UHFFFAOYSA-N
XLogP3.29
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
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

3-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54842282
3-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54842538
N-butyl-3-[[2-(3-propan-2-yloxyanilino)acetyl]amino]benzamide
CID 54830283
N-butan-2-yl-3-[[2-[4-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54835277
3-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 54830126
3-[[2-(3-acetamidoanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54831834
N-tert-butyl-3-[[2-[4-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844318
3-[[2-(3-butoxyanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54825060
4-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54835601
4-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54836483
3-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-butylbenzamide
CID 54830364
2-(3-propan-2-yloxyanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54829870

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-3-[[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]amino]benzamide?
The IUPAC name of N-(3-methoxypropyl)-3-[[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]amino]benzamide (CID 54842246) is N-(3-methoxypropyl)-3-[[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]amino]benzamide.
What is the SMILES notation for N-(3-methoxypropyl)-3-[[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]amino]benzamide?
The canonical SMILES for N-(3-methoxypropyl)-3-[[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]amino]benzamide is COCCCNC(=O)c1cccc(NCC(=O)Nc2ccc(OC(C)C)cc2)c1.
What is the InChIKey of N-(3-methoxypropyl)-3-[[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]amino]benzamide?
The InChIKey is QSFUSGYYICMMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4/c1-16(2)29-20-10-8-18(9-11-20)25-21(26)15-24-19-7-4-6-17(14-19)22(27)23-12-5-13-28-3/h4,6-11,14,16,24H,5,12-13,15H2,1-3H3,(H,23,27)(H,25,26).
What are the key properties of N-(3-methoxypropyl)-3-[[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]amino]benzamide?
N-(3-methoxypropyl)-3-[[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]amino]benzamide has a molecular weight of 399.49 g/mol, XLogP of 3.29, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-3-[[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]amino]benzamide is sourced from PubChem (CID 54842246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).