N'-methyl-5-oxo-2-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)hexanediamide

C18H23N3O4 — CID 175838667

IUPACN'-methyl-5-oxo-2-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)hexanediamide
SMILESCNC(=O)C(=O)CCC(NC(=O)C1CCc2ccccc2C1)C(N)=O
InChIInChI=1S/C18H23N3O4/c1-20-18(25)15(22)9-8-14(16(19)23)21-17(24)13-7-6-11-4-2-3-5-12(11)10-13/h2-5,13-14H,6-10H2,1H3,(H2,19,23)(H,20,25)(H,21,24)
InChIKeyXQUKCGUCSCOQJX-UHFFFAOYSA-N
MW345.40 g/mol
LogP-0.14
Rot. Bonds7

About N'-methyl-5-oxo-2-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)hexanediamide

N'-methyl-5-oxo-2-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)hexanediamide (PubChem CID 175838667) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is N'-methyl-5-oxo-2-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)hexanediamide.

Molecular Properties

Compound NameN'-methyl-5-oxo-2-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)hexanediamide
PubChem CID175838667
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC NameN'-methyl-5-oxo-2-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)hexanediamide
SMILESCNC(=O)C(=O)CCC(NC(=O)C1CCc2ccccc2C1)C(N)=O
InChIInChI=1S/C18H23N3O4/c1-20-18(25)15(22)9-8-14(16(19)23)21-17(24)13-7-6-11-4-2-3-5-12(11)10-13/h2-5,13-14H,6-10H2,1H3,(H2,19,23)(H,20,25)(H,21,24)
InChIKeyXQUKCGUCSCOQJX-UHFFFAOYSA-N
XLogP-0.14
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-5-oxo-2-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)hexanediamide?
The IUPAC name of N'-methyl-5-oxo-2-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)hexanediamide (CID 175838667) is N'-methyl-5-oxo-2-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)hexanediamide.
What is the SMILES notation for N'-methyl-5-oxo-2-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)hexanediamide?
The canonical SMILES for N'-methyl-5-oxo-2-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)hexanediamide is CNC(=O)C(=O)CCC(NC(=O)C1CCc2ccccc2C1)C(N)=O.
What is the InChIKey of N'-methyl-5-oxo-2-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)hexanediamide?
The InChIKey is XQUKCGUCSCOQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-20-18(25)15(22)9-8-14(16(19)23)21-17(24)13-7-6-11-4-2-3-5-12(11)10-13/h2-5,13-14H,6-10H2,1H3,(H2,19,23)(H,20,25)(H,21,24).
What are the key properties of N'-methyl-5-oxo-2-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)hexanediamide?
N'-methyl-5-oxo-2-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)hexanediamide has a molecular weight of 345.40 g/mol, XLogP of -0.14, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-5-oxo-2-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)hexanediamide is sourced from PubChem (CID 175838667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).