N-butyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide

C22H27N3O3 — CID 3597840

IUPACN-butyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
SMILESCCCCN(CC(=O)NCC(=O)Nc1ccc(C)cc1)C(=O)c1ccccc1
InChIInChI=1S/C22H27N3O3/c1-3-4-14-25(22(28)18-8-6-5-7-9-18)16-21(27)23-15-20(26)24-19-12-10-17(2)11-13-19/h5-13H,3-4,14-16H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyFUMRMBORMKPQDB-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.99
Rot. Bonds9

About N-butyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide

N-butyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide (PubChem CID 3597840) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-butyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-butyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
PubChem CID3597840
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-butyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
SMILESCCCCN(CC(=O)NCC(=O)Nc1ccc(C)cc1)C(=O)c1ccccc1
InChIInChI=1S/C22H27N3O3/c1-3-4-14-25(22(28)18-8-6-5-7-9-18)16-21(27)23-15-20(26)24-19-12-10-17(2)11-13-19/h5-13H,3-4,14-16H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyFUMRMBORMKPQDB-UHFFFAOYSA-N
XLogP2.99
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-2-methyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 5183706
N-butyl-2-methoxy-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 3430043
N-butyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]naphthalene-1-carboxamide
CID 3637083
N-[2-[(2-anilino-2-oxoethyl)amino]-2-oxoethyl]-4-phenyl-N-propylbenzamide
CID 3927275
4-butoxy-N-(2-methoxyethyl)-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 3405435
N-[(4-fluorophenyl)methyl]-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 5192936
N,4-dibutyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 3604916
(2R)-N-butyl-2-ethyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]hexanamide
CID 7330763
N-(2-methoxyethyl)-4-methyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 3622960
2-[acetyl(butyl)amino]-N-(4-methylphenyl)acetamide
CID 113158704
N-(3-methoxypropyl)-2-methyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 5223742
N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenyl-N-propylbutanamide
CID 4190376

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of N-butyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide (CID 3597840) is N-butyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-butyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for N-butyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide is CCCCN(CC(=O)NCC(=O)Nc1ccc(C)cc1)C(=O)c1ccccc1.
What is the InChIKey of N-butyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide?
The InChIKey is FUMRMBORMKPQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-3-4-14-25(22(28)18-8-6-5-7-9-18)16-21(27)23-15-20(26)24-19-12-10-17(2)11-13-19/h5-13H,3-4,14-16H2,1-2H3,(H,23,27)(H,24,26).
What are the key properties of N-butyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide?
N-butyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide has a molecular weight of 381.48 g/mol, XLogP of 2.99, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 3597840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).