methyl 5-[[2-[(2-anilino-2-oxoethyl)amino]-2-oxoethyl]-propylamino]-5-oxopentanoate

C19H27N3O5 — CID 3592117

IUPACmethyl 5-[[2-[(2-anilino-2-oxoethyl)amino]-2-oxoethyl]-propylamino]-5-oxopentanoate
SMILESCCCN(CC(=O)NCC(=O)Nc1ccccc1)C(=O)CCCC(=O)OC
InChIInChI=1S/C19H27N3O5/c1-3-12-22(18(25)10-7-11-19(26)27-2)14-17(24)20-13-16(23)21-15-8-5-4-6-9-15/h4-6,8-9H,3,7,10-14H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyMKIHGQXFIABNMK-UHFFFAOYSA-N
MW377.44 g/mol
LogP1.32
Rot. Bonds11

About methyl 5-[[2-[(2-anilino-2-oxoethyl)amino]-2-oxoethyl]-propylamino]-5-oxopentanoate

methyl 5-[[2-[(2-anilino-2-oxoethyl)amino]-2-oxoethyl]-propylamino]-5-oxopentanoate (PubChem CID 3592117) has the molecular formula C19H27N3O5 and a molecular weight of 377.44 g/mol. Its IUPAC name is methyl 5-[[2-[(2-anilino-2-oxoethyl)amino]-2-oxoethyl]-propylamino]-5-oxopentanoate.

Molecular Properties

Compound Namemethyl 5-[[2-[(2-anilino-2-oxoethyl)amino]-2-oxoethyl]-propylamino]-5-oxopentanoate
PubChem CID3592117
Molecular FormulaC19H27N3O5
Molecular Weight377.44 g/mol
Exact Mass377.20
IUPAC Namemethyl 5-[[2-[(2-anilino-2-oxoethyl)amino]-2-oxoethyl]-propylamino]-5-oxopentanoate
SMILESCCCN(CC(=O)NCC(=O)Nc1ccccc1)C(=O)CCCC(=O)OC
InChIInChI=1S/C19H27N3O5/c1-3-12-22(18(25)10-7-11-19(26)27-2)14-17(24)20-13-16(23)21-15-8-5-4-6-9-15/h4-6,8-9H,3,7,10-14H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyMKIHGQXFIABNMK-UHFFFAOYSA-N
XLogP1.32
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 5-[[2-[(2-anilino-2-oxoethyl)amino]-2-oxoethyl]-propylamino]-5-oxopentanoate with MolForge

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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]-2-phenyl-N-propylacetamide
CID 4139055
N-(2-methoxyethyl)-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]octanamide
CID 3432157
N-butyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]octanamide
CID 4167862
N-[2-[(2-anilino-2-oxoethyl)amino]-2-oxoethyl]-4-phenyl-N-propylbenzamide
CID 3927275
N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)pentanamide
CID 5087215
3-methyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-propylbutanamide
CID 5087039
N-butyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 3597840
N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenyl-N-propylbutanamide
CID 4190376
N-butyl-2-methoxy-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 3430043
N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-3,5,5-trimethyl-N-propylhexanamide
CID 4109656
N-butyl-2-methyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 5183706

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[2-[(2-anilino-2-oxoethyl)amino]-2-oxoethyl]-propylamino]-5-oxopentanoate?
The IUPAC name of methyl 5-[[2-[(2-anilino-2-oxoethyl)amino]-2-oxoethyl]-propylamino]-5-oxopentanoate (CID 3592117) is methyl 5-[[2-[(2-anilino-2-oxoethyl)amino]-2-oxoethyl]-propylamino]-5-oxopentanoate.
What is the SMILES notation for methyl 5-[[2-[(2-anilino-2-oxoethyl)amino]-2-oxoethyl]-propylamino]-5-oxopentanoate?
The canonical SMILES for methyl 5-[[2-[(2-anilino-2-oxoethyl)amino]-2-oxoethyl]-propylamino]-5-oxopentanoate is CCCN(CC(=O)NCC(=O)Nc1ccccc1)C(=O)CCCC(=O)OC.
What is the InChIKey of methyl 5-[[2-[(2-anilino-2-oxoethyl)amino]-2-oxoethyl]-propylamino]-5-oxopentanoate?
The InChIKey is MKIHGQXFIABNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O5/c1-3-12-22(18(25)10-7-11-19(26)27-2)14-17(24)20-13-16(23)21-15-8-5-4-6-9-15/h4-6,8-9H,3,7,10-14H2,1-2H3,(H,20,24)(H,21,23).
What are the key properties of methyl 5-[[2-[(2-anilino-2-oxoethyl)amino]-2-oxoethyl]-propylamino]-5-oxopentanoate?
methyl 5-[[2-[(2-anilino-2-oxoethyl)amino]-2-oxoethyl]-propylamino]-5-oxopentanoate has a molecular weight of 377.44 g/mol, XLogP of 1.32, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[2-[(2-anilino-2-oxoethyl)amino]-2-oxoethyl]-propylamino]-5-oxopentanoate is sourced from PubChem (CID 3592117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).