N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenyl-N-propylacetamide

C22H27N3O4 — CID 4139055

IUPACN-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenyl-N-propylacetamide
SMILESCCCN(CC(=O)NCC(=O)Nc1ccc(OC)cc1)C(=O)Cc1ccccc1
InChIInChI=1S/C22H27N3O4/c1-3-13-25(22(28)14-17-7-5-4-6-8-17)16-21(27)23-15-20(26)24-18-9-11-19(29-2)12-10-18/h4-12H,3,13-16H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyMKFLOLOZDVKERL-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.23
Rot. Bonds10

About N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenyl-N-propylacetamide

N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenyl-N-propylacetamide (PubChem CID 4139055) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenyl-N-propylacetamide.

Molecular Properties

Compound NameN-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenyl-N-propylacetamide
PubChem CID4139055
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC NameN-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenyl-N-propylacetamide
SMILESCCCN(CC(=O)NCC(=O)Nc1ccc(OC)cc1)C(=O)Cc1ccccc1
InChIInChI=1S/C22H27N3O4/c1-3-13-25(22(28)14-17-7-5-4-6-8-17)16-21(27)23-15-20(26)24-18-9-11-19(29-2)12-10-18/h4-12H,3,13-16H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyMKFLOLOZDVKERL-UHFFFAOYSA-N
XLogP2.23
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-propylamino]-5-oxopentanoate
CID 3689635
N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-3,5,5-trimethyl-N-propylhexanamide
CID 4109656
N-butyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]octanamide
CID 4167862
N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)pentanamide
CID 5087215
methyl 5-[[2-[(2-anilino-2-oxoethyl)amino]-2-oxoethyl]-propylamino]-5-oxopentanoate
CID 3592117
N-[2-(4-methoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 112998708
N-benzyl-2-chloro-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 4071473
N-benzyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylbutanamide
CID 4284142
N-butyl-2-chloro-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 4641506
N,4-dibutyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 3604916
N-benzyl-2,4-dimethoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 4624634
N-benzyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-3,5,5-trimethylhexanamide
CID 4071657

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenyl-N-propylacetamide?
The IUPAC name of N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenyl-N-propylacetamide (CID 4139055) is N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenyl-N-propylacetamide.
What is the SMILES notation for N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenyl-N-propylacetamide?
The canonical SMILES for N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenyl-N-propylacetamide is CCCN(CC(=O)NCC(=O)Nc1ccc(OC)cc1)C(=O)Cc1ccccc1.
What is the InChIKey of N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenyl-N-propylacetamide?
The InChIKey is MKFLOLOZDVKERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-3-13-25(22(28)14-17-7-5-4-6-8-17)16-21(27)23-15-20(26)24-18-9-11-19(29-2)12-10-18/h4-12H,3,13-16H2,1-2H3,(H,23,27)(H,24,26).
What are the key properties of N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenyl-N-propylacetamide?
N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenyl-N-propylacetamide has a molecular weight of 397.48 g/mol, XLogP of 2.23, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenyl-N-propylacetamide is sourced from PubChem (CID 4139055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).