N-[3-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-3-oxopropyl]benzamide

C22H27N3O3 — CID 38676277

IUPACN-[3-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-3-oxopropyl]benzamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)CCNC(=O)c1ccccc1
InChIInChI=1S/C22H27N3O3/c1-3-15-25(16-20(26)24-19-12-8-7-9-17(19)2)21(27)13-14-23-22(28)18-10-5-4-6-11-18/h4-12H,3,13-16H2,1-2H3,(H,23,28)(H,24,26)
InChIKeyZPEXWQSIURPIOZ-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.99
Rot. Bonds9

About N-[3-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-3-oxopropyl]benzamide

N-[3-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-3-oxopropyl]benzamide (PubChem CID 38676277) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[3-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-3-oxopropyl]benzamide.

Molecular Properties

Compound NameN-[3-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-3-oxopropyl]benzamide
PubChem CID38676277
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-[3-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-3-oxopropyl]benzamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)CCNC(=O)c1ccccc1
InChIInChI=1S/C22H27N3O3/c1-3-15-25(16-20(26)24-19-12-8-7-9-17(19)2)21(27)13-14-23-22(28)18-10-5-4-6-11-18/h4-12H,3,13-16H2,1-2H3,(H,23,28)(H,24,26)
InChIKeyZPEXWQSIURPIOZ-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

4-bromo-N-[2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl]benzamide
CID 112771725
2-amino-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide;hydrochloride
CID 119267479
4-(4-chlorophenyl)-N-[2-(2-methylanilino)-2-oxoethyl]-4-oxo-N-propylbutanamide
CID 31974383
2-(2-methoxyethylamino)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide
CID 119682407
2,4-difluoro-N-[4-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-4-oxobutyl]benzamide
CID 38692816
3-benzamido-4-methyl-N,N-dipropylbenzamide
CID 17226384
3,5-dichloro-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide
CID 38684187
2-ethyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbutanamide
CID 112790013
[2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate
CID 46796070
N-[2-methyl-5-[[2-(2-methylanilino)-2-oxoethyl]-propylcarbamoyl]phenyl]furan-2-carboxamide
CID 38685034
3-[acetyl(propyl)amino]-N-(2-methylphenyl)propanamide
CID 113115004
2-[methyl-[2-(2-methylanilino)-2-oxoethyl]amino]-N-propylacetamide
CID 9302823

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-3-oxopropyl]benzamide?
The IUPAC name of N-[3-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-3-oxopropyl]benzamide (CID 38676277) is N-[3-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-3-oxopropyl]benzamide.
What is the SMILES notation for N-[3-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-3-oxopropyl]benzamide?
The canonical SMILES for N-[3-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-3-oxopropyl]benzamide is CCCN(CC(=O)Nc1ccccc1C)C(=O)CCNC(=O)c1ccccc1.
What is the InChIKey of N-[3-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-3-oxopropyl]benzamide?
The InChIKey is ZPEXWQSIURPIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-3-15-25(16-20(26)24-19-12-8-7-9-17(19)2)21(27)13-14-23-22(28)18-10-5-4-6-11-18/h4-12H,3,13-16H2,1-2H3,(H,23,28)(H,24,26).
What are the key properties of N-[3-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-3-oxopropyl]benzamide?
N-[3-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-3-oxopropyl]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-[3-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-3-oxopropyl]benzamide is sourced from PubChem (CID 38676277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).