N-[2-[(2-anilino-2-oxoethyl)amino]-2-oxoethyl]-4-phenyl-N-propylbenzamide

C26H27N3O3 — CID 3927275

IUPACN-[2-[(2-anilino-2-oxoethyl)amino]-2-oxoethyl]-4-phenyl-N-propylbenzamide
SMILESCCCN(CC(=O)NCC(=O)Nc1ccccc1)C(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H27N3O3/c1-2-17-29(19-25(31)27-18-24(30)28-23-11-7-4-8-12-23)26(32)22-15-13-21(14-16-22)20-9-5-3-6-10-20/h3-16H,2,17-19H2,1H3,(H,27,31)(H,28,30)
InChIKeyBFPARSAHHFYJLK-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.96
Rot. Bonds9

About N-[2-[(2-anilino-2-oxoethyl)amino]-2-oxoethyl]-4-phenyl-N-propylbenzamide

N-[2-[(2-anilino-2-oxoethyl)amino]-2-oxoethyl]-4-phenyl-N-propylbenzamide (PubChem CID 3927275) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-[2-[(2-anilino-2-oxoethyl)amino]-2-oxoethyl]-4-phenyl-N-propylbenzamide.

Molecular Properties

Compound NameN-[2-[(2-anilino-2-oxoethyl)amino]-2-oxoethyl]-4-phenyl-N-propylbenzamide
PubChem CID3927275
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC NameN-[2-[(2-anilino-2-oxoethyl)amino]-2-oxoethyl]-4-phenyl-N-propylbenzamide
SMILESCCCN(CC(=O)NCC(=O)Nc1ccccc1)C(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H27N3O3/c1-2-17-29(19-25(31)27-18-24(30)28-23-11-7-4-8-12-23)26(32)22-15-13-21(14-16-22)20-9-5-3-6-10-20/h3-16H,2,17-19H2,1H3,(H,27,31)(H,28,30)
InChIKeyBFPARSAHHFYJLK-UHFFFAOYSA-N
XLogP3.96
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 3597840
N-[(4-fluorophenyl)methyl]-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-4-phenylbenzamide
CID 3252705
methyl 5-[[2-[(2-anilino-2-oxoethyl)amino]-2-oxoethyl]-propylamino]-5-oxopentanoate
CID 3592117
N-(2-methoxyethyl)-4-methyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 3622960
N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenyl-N-propylbutanamide
CID 4190376
4-[[2-(4-methylanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54813932
4-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54818198
N-butyl-2-methyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 5183706
N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethyl-4-phenylbenzamide
CID 46558447
4-butoxy-N-(2-methoxyethyl)-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 3405435
3-methyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-propylbutanamide
CID 5087039
N-[(4-fluorophenyl)methyl]-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 5192936

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-anilino-2-oxoethyl)amino]-2-oxoethyl]-4-phenyl-N-propylbenzamide?
The IUPAC name of N-[2-[(2-anilino-2-oxoethyl)amino]-2-oxoethyl]-4-phenyl-N-propylbenzamide (CID 3927275) is N-[2-[(2-anilino-2-oxoethyl)amino]-2-oxoethyl]-4-phenyl-N-propylbenzamide.
What is the SMILES notation for N-[2-[(2-anilino-2-oxoethyl)amino]-2-oxoethyl]-4-phenyl-N-propylbenzamide?
The canonical SMILES for N-[2-[(2-anilino-2-oxoethyl)amino]-2-oxoethyl]-4-phenyl-N-propylbenzamide is CCCN(CC(=O)NCC(=O)Nc1ccccc1)C(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[2-[(2-anilino-2-oxoethyl)amino]-2-oxoethyl]-4-phenyl-N-propylbenzamide?
The InChIKey is BFPARSAHHFYJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-2-17-29(19-25(31)27-18-24(30)28-23-11-7-4-8-12-23)26(32)22-15-13-21(14-16-22)20-9-5-3-6-10-20/h3-16H,2,17-19H2,1H3,(H,27,31)(H,28,30).
What are the key properties of N-[2-[(2-anilino-2-oxoethyl)amino]-2-oxoethyl]-4-phenyl-N-propylbenzamide?
N-[2-[(2-anilino-2-oxoethyl)amino]-2-oxoethyl]-4-phenyl-N-propylbenzamide has a molecular weight of 429.52 g/mol, XLogP of 3.96, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-anilino-2-oxoethyl)amino]-2-oxoethyl]-4-phenyl-N-propylbenzamide is sourced from PubChem (CID 3927275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).