N'-[(Z)-[1-amino-3-(1,3-dioxoisoindol-2-yl)propylidene]amino]pentanediamide

C16H19N5O4 — CID 130439754

IUPACN'-[(Z)-[1-amino-3-(1,3-dioxoisoindol-2-yl)propylidene]amino]pentanediamide
SMILESNC(=O)CCCC(=O)N/N=C(\N)CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H19N5O4/c17-12(19-20-14(23)7-3-6-13(18)22)8-9-21-15(24)10-4-1-2-5-11(10)16(21)25/h1-2,4-5H,3,6-9H2,(H2,17,19)(H2,18,22)(H,20,23)
InChIKeyAXVOWKXBVSYQCL-UHFFFAOYSA-N
MW345.36 g/mol
LogP-0.28
Rot. Bonds8

About N'-[(Z)-[1-amino-3-(1,3-dioxoisoindol-2-yl)propylidene]amino]pentanediamide

N'-[(Z)-[1-amino-3-(1,3-dioxoisoindol-2-yl)propylidene]amino]pentanediamide (PubChem CID 130439754) has the molecular formula C16H19N5O4 and a molecular weight of 345.36 g/mol. Its IUPAC name is N'-[(Z)-[1-amino-3-(1,3-dioxoisoindol-2-yl)propylidene]amino]pentanediamide.

Molecular Properties

Compound NameN'-[(Z)-[1-amino-3-(1,3-dioxoisoindol-2-yl)propylidene]amino]pentanediamide
PubChem CID130439754
Molecular FormulaC16H19N5O4
Molecular Weight345.36 g/mol
Exact Mass345.14
IUPAC NameN'-[(Z)-[1-amino-3-(1,3-dioxoisoindol-2-yl)propylidene]amino]pentanediamide
SMILESNC(=O)CCCC(=O)N/N=C(\N)CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H19N5O4/c17-12(19-20-14(23)7-3-6-13(18)22)8-9-21-15(24)10-4-1-2-5-11(10)16(21)25/h1-2,4-5H,3,6-9H2,(H2,17,19)(H2,18,22)(H,20,23)
InChIKeyAXVOWKXBVSYQCL-UHFFFAOYSA-N
XLogP-0.28
TPSA147.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

[5-[2-[1-amino-3-(1,3-dioxoisoindol-2-yl)propylidene]hydrazinyl]-5-oxopentanoyl]azanium
CID 147032340
5-(1,3-dioxoisoindol-2-yl)pentanamide
CID 86775352
N-(benzhydrylideneamino)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 9095307
5-(1,3-dioxoisoindol-2-yl)pentanehydrazide
CID 63572994
4-(1,3-dioxoisoindol-2-yl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]butanamide
CID 135855125
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
3-(1,3-dioxoisoindol-2-yl)-N-methoxypropanamide
CID 51074410
2-[3-(1,3-dioxoisoindol-2-yl)-3-oxopropyl]isoindole-1,3-dione
CID 23374871
N-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]formamide
CID 56766373
3-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]propanamide
CID 119323792
methyl 2-[6-(1,3-dioxoisoindol-2-yl)hexanoylamino]propanoate
CID 19166825
4-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]butanamide;hydrochloride
CID 119323815

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[1-amino-3-(1,3-dioxoisoindol-2-yl)propylidene]amino]pentanediamide?
The IUPAC name of N'-[(Z)-[1-amino-3-(1,3-dioxoisoindol-2-yl)propylidene]amino]pentanediamide (CID 130439754) is N'-[(Z)-[1-amino-3-(1,3-dioxoisoindol-2-yl)propylidene]amino]pentanediamide.
What is the SMILES notation for N'-[(Z)-[1-amino-3-(1,3-dioxoisoindol-2-yl)propylidene]amino]pentanediamide?
The canonical SMILES for N'-[(Z)-[1-amino-3-(1,3-dioxoisoindol-2-yl)propylidene]amino]pentanediamide is NC(=O)CCCC(=O)N/N=C(\N)CCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of N'-[(Z)-[1-amino-3-(1,3-dioxoisoindol-2-yl)propylidene]amino]pentanediamide?
The InChIKey is AXVOWKXBVSYQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O4/c17-12(19-20-14(23)7-3-6-13(18)22)8-9-21-15(24)10-4-1-2-5-11(10)16(21)25/h1-2,4-5H,3,6-9H2,(H2,17,19)(H2,18,22)(H,20,23).
What are the key properties of N'-[(Z)-[1-amino-3-(1,3-dioxoisoindol-2-yl)propylidene]amino]pentanediamide?
N'-[(Z)-[1-amino-3-(1,3-dioxoisoindol-2-yl)propylidene]amino]pentanediamide has a molecular weight of 345.36 g/mol, XLogP of -0.28, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[1-amino-3-(1,3-dioxoisoindol-2-yl)propylidene]amino]pentanediamide is sourced from PubChem (CID 130439754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).